3-oxo-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanenitrile

C11H7N3OS — CID 604918

IUPAC3-oxo-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanenitrile
SMILESN#CCC(=O)c1csc(-c2cccnc2)n1
InChIInChI=1S/C11H7N3OS/c12-4-3-10(15)9-7-16-11(14-9)8-2-1-5-13-6-8/h1-2,5-7H,3H2
InChIKeyTUOYDEXEUJNJMG-UHFFFAOYSA-N
MW229.26 g/mol
LogP2.30
Rot. Bonds3

About 3-oxo-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanenitrile

3-oxo-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanenitrile (PubChem CID 604918) has the molecular formula C11H7N3OS and a molecular weight of 229.26 g/mol. Its IUPAC name is 3-oxo-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanenitrile.

Molecular Properties

Compound Name3-oxo-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanenitrile
PubChem CID604918
Molecular FormulaC11H7N3OS
Molecular Weight229.26 g/mol
Exact Mass229.03
IUPAC Name3-oxo-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanenitrile
SMILESN#CCC(=O)c1csc(-c2cccnc2)n1
InChIInChI=1S/C11H7N3OS/c12-4-3-10(15)9-7-16-11(14-9)8-2-1-5-13-6-8/h1-2,5-7H,3H2
InChIKeyTUOYDEXEUJNJMG-UHFFFAOYSA-N
XLogP2.30
TPSA66.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-oxo-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone
CID 175265157
1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 22888692
N-hydroxy-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 604917
morpholin-4-yl-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone
CID 23467920
3-(2-methyl-1,3-thiazol-4-yl)-3-oxopropanenitrile
CID 82414227
N-benzyl-N-ethyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 110648241
N-[(2-methylphenyl)methyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 110647947
1-[2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidin-1-yl]propan-1-one
CID 3806511
N-(2,3-dichlorophenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 110651203
N-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 155961799
S-(methylamino) N-amino-N-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)carbamothioate
CID 21148157
2-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanenitrile
CID 116890180

Frequently Asked Questions

What is the IUPAC name of 3-oxo-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanenitrile?
The IUPAC name of 3-oxo-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanenitrile (CID 604918) is 3-oxo-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanenitrile.
What is the SMILES notation for 3-oxo-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanenitrile?
The canonical SMILES for 3-oxo-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanenitrile is N#CCC(=O)c1csc(-c2cccnc2)n1.
What is the InChIKey of 3-oxo-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanenitrile?
The InChIKey is TUOYDEXEUJNJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3OS/c12-4-3-10(15)9-7-16-11(14-9)8-2-1-5-13-6-8/h1-2,5-7H,3H2.
What are the key properties of 3-oxo-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanenitrile?
3-oxo-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanenitrile has a molecular weight of 229.26 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanenitrile is sourced from PubChem (CID 604918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).