65270292
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2.923
3.732
4.5411
3.232
6.3301
4.8198
4.232
5.4076
4.0108
5.6288
2.866
4.5981
3.732
2.866
5.4641
3.732
2
3.732
2
2.866
5.9092
5.772
5.2644
6.1304
5.9933
4.3752
3.5092
3.6464
4.906
2.654
2.2554
4.1996
4.9966
5.8626
5.0656
4.269
1.4631
6.8671
6.3301
4.269
1.4631
2.866
1.2594
-0.3284
1.2594
2.2104
-0.8284
3.0194
2.2104
3.8284
3.6072
2.4316
-0.8284
-0.8284
0.6716
-1.8284
-0.3284
-2.3284
-2.3284
-3.3284
-3.3284
-3.8284
3.464
4.33
1.93
2.0672
2.9332
4.1088
3.9716
3.1056
4.1929
-0.2458
-0.9361
-1.3034
-1.3034
0.1465
0.1465
-2.0184
-2.0184
-0.5184
-1.4484
-3.6384
-3.6384
-4.4484
8
8
8
8
8
8
8
8
8
8
8
1
1
3
3
4
14
14
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19
4
13
7
13
7
16
17
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20
0
Compound
Canonicalized
5
2012.05.21
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
286
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.402
Cactvs
xemistry.com
2012.05.21
5
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.402
Cactvs
xemistry.com
2012.05.21
1
Count
Rotatable Bond
5
E_NROTBONDS
3.402
Cactvs
xemistry.com
2012.05.21
6
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371E073800040000000000000000000000000016000000030000000000000000001C000001C04104000000E00C11B04331087481000A4022262240082D0092000A80988802804888868228099119420086890028888071080000E00000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
N'-benzyl-N'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
N'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N'-(phenylmethyl)ethane-1,2-diamine
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
N'-benzyl-N'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
N'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N'-(phenylmethyl)ethane-1,2-diamine
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-aminoethyl-benzyl-(3-tert-butyl-1,2,4-thiadiazol-5-yl)amine
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C15H22N4S/c1-15(2,3)13-17-14(20-18-13)19(10-9-16)11-12-7-5-4-6-8-12/h4-8H,9-11,16H2,1-3H3
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
KNERQCINDVUYPE-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
3.5
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
290.156518
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C15H22N4S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
290.42698
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
CC(C)(C)C1=NSC(=N1)N(CCN)CC2=CC=CC=C2
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
CC(C)(C)C1=NSC(=N1)N(CCN)CC2=CC=CC=C2
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
83.3
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
290.156518
20
0
0
0
0
0
0
0
1
1