3-(2-amino-1,3-thiazol-5-yl)benzonitrile

C10H7N3S — CID 61025504

IUPAC3-(2-amino-1,3-thiazol-5-yl)benzonitrile
SMILESN#Cc1cccc(-c2cnc(N)s2)c1
InChIInChI=1S/C10H7N3S/c11-5-7-2-1-3-8(4-7)9-6-13-10(12)14-9/h1-4,6H,(H2,12,13)
InChIKeySZVGPMNDMYZPAD-UHFFFAOYSA-N
MW201.25 g/mol
LogP2.26
Rot. Bonds1

About 3-(2-amino-1,3-thiazol-5-yl)benzonitrile

3-(2-amino-1,3-thiazol-5-yl)benzonitrile (PubChem CID 61025504) has the molecular formula C10H7N3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 3-(2-amino-1,3-thiazol-5-yl)benzonitrile.

Molecular Properties

Compound Name3-(2-amino-1,3-thiazol-5-yl)benzonitrile
PubChem CID61025504
Molecular FormulaC10H7N3S
Molecular Weight201.25 g/mol
Exact Mass201.04
IUPAC Name3-(2-amino-1,3-thiazol-5-yl)benzonitrile
SMILESN#Cc1cccc(-c2cnc(N)s2)c1
InChIInChI=1S/C10H7N3S/c11-5-7-2-1-3-8(4-7)9-6-13-10(12)14-9/h1-4,6H,(H2,12,13)
InChIKeySZVGPMNDMYZPAD-UHFFFAOYSA-N
XLogP2.26
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(3-cyanophenyl)thiophen-2-yl]benzonitrile
CID 11243141
ethane;5-phenyl-1,3-thiazol-2-amine
CID 142092018
3-[2-(2-methoxyethylamino)-1,3-thiazol-5-yl]benzonitrile
CID 116812492
3-(6-amino-4-methyl-3-pyridinyl)benzonitrile
CID 79020234
3-(4-amino-6-pyridin-2-ylthieno[2,3-d]pyrimidin-2-yl)benzonitrile
CID 70901414
4-amino-2-(3-cyanophenyl)thieno[2,3-d]pyridazine-7-carboxamide
CID 11594527
3-thieno[3,2-c]quinolin-2-ylbenzonitrile
CID 71530393
5-(4-bromophenyl)-2,4-dimethyl-1,3-thiazole;3-(2-methyl-1,3-thiazol-5-yl)benzonitrile
CID 143724156
3-[2-amino-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile
CID 162688295
5-(3-imidazol-1-ylphenyl)-1,3-thiazol-2-amine
CID 129285315
3-(4-amino-3-pyridinyl)benzonitrile
CID 79004011
3-(5-bromo-4-methylthiophen-2-yl)benzonitrile
CID 132540534

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-thiazol-5-yl)benzonitrile?
The IUPAC name of 3-(2-amino-1,3-thiazol-5-yl)benzonitrile (CID 61025504) is 3-(2-amino-1,3-thiazol-5-yl)benzonitrile.
What is the SMILES notation for 3-(2-amino-1,3-thiazol-5-yl)benzonitrile?
The canonical SMILES for 3-(2-amino-1,3-thiazol-5-yl)benzonitrile is N#Cc1cccc(-c2cnc(N)s2)c1.
What is the InChIKey of 3-(2-amino-1,3-thiazol-5-yl)benzonitrile?
The InChIKey is SZVGPMNDMYZPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3S/c11-5-7-2-1-3-8(4-7)9-6-13-10(12)14-9/h1-4,6H,(H2,12,13).
What are the key properties of 3-(2-amino-1,3-thiazol-5-yl)benzonitrile?
3-(2-amino-1,3-thiazol-5-yl)benzonitrile has a molecular weight of 201.25 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1,3-thiazol-5-yl)benzonitrile is sourced from PubChem (CID 61025504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).