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6.5153
7.2566
4.9889
4.2746
5.9209
4.6783
5.5665
5.2619
4.6783
2.866
6.2781
5.6103
6.8994
7.5673
5.9674
5.2531
5.5637
4.9774
6.5171
3.732
3.9774
3.732
7.3271
2.866
2
2
6.6922
5.0633
5.2277
7.4258
6.6682
8.1142
7.9498
5.988
6.5812
3.9784
3.3574
3.9763
7.6906
7.8293
6.9635
2.866
1.4631
1.4631
3.0113
-0.4795
-1.8424
1.5472
1.0091
-2.793
4.322
-3.5977
-4.4024
-2.5977
-0.6857
0.0586
1.2153
0.471
-1.6362
1.7534
2.7039
3.514
4.0113
-3.0977
3.5157
-4.0977
4.5977
-4.5977
-4.0977
-3.0977
-1.1472
0.3506
-0.4293
1.543
1.7906
0.179
0.9589
-2.2559
-1.7236
4.1357
3.5168
2.8957
4.0955
4.9612
5.0999
-5.2177
-4.4077
-2.7877
8
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3
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1
1
6
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
514
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.402
Cactvs
xemistry.com
2012.05.21
8
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.402
Cactvs
xemistry.com
2012.05.21
0
Count
Rotatable Bond
5
E_NROTBONDS
3.402
Cactvs
xemistry.com
2012.05.21
4
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371E07BB000400000000000000000000000000162C000002C580000000000005801FE00001E040C000000081CE1D7063FF1BF181408AE013777740082F4AF751AB83DD8353874D88B68FAE0D991972188628602FAC9661000000000000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
(2,4-dimethylthiazol-5-yl)-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
(2,4-dimethyl-5-thiazolyl)-[2-(3-triazolo[4,5-b]pyridinyloxymethyl)-4-morpholinyl]methanone
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
(2,4-dimethyl-1,3-thiazol-5-yl)-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
(2,4-dimethyl-1,3-thiazol-5-yl)-[2-([1,2,3]triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
(2,4-dimethylthiazol-5-yl)-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholino]methanone
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C16H18N6O3S/c1-10-14(26-11(2)18-10)16(23)21-6-7-24-12(8-21)9-25-22-15-13(19-20-22)4-3-5-17-15/h3-5,12H,6-9H2,1-2H3
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
UCCDHDLLGCHLLM-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
1.8
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
374.116109
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C16H18N6O3S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
374.41752
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
CC1=C(SC(=N1)C)C(=O)N2CCOC(C2)CON3C4=C(C=CC=N4)N=N3
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
CC1=C(SC(=N1)C)C(=O)N2CCOC(C2)CON3C4=C(C=CC=N4)N=N3
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
124
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
374.116109
26
1
0
1
0
0
0
0
1
1