2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-pyridin-3-ylacetamide

C15H14ClN5OS — CID 46269669

IUPAC2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-pyridin-3-ylacetamide
SMILESCc1nn(-c2nc(CC(=O)Nc3cccnc3)cs2)c(C)c1Cl
InChIInChI=1S/C15H14ClN5OS/c1-9-14(16)10(2)21(20-9)15-19-12(8-23-15)6-13(22)18-11-4-3-5-17-7-11/h3-5,7-8H,6H2,1-2H3,(H,18,22)
InChIKeyYARCLELQIUDJLY-UHFFFAOYSA-N
MW347.83 g/mol
LogP3.18
Rot. Bonds4

About 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-pyridin-3-ylacetamide

2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-pyridin-3-ylacetamide (PubChem CID 46269669) has the molecular formula C15H14ClN5OS and a molecular weight of 347.83 g/mol. Its IUPAC name is 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-pyridin-3-ylacetamide
PubChem CID46269669
Molecular FormulaC15H14ClN5OS
Molecular Weight347.83 g/mol
Exact Mass347.06
IUPAC Name2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-pyridin-3-ylacetamide
SMILESCc1nn(-c2nc(CC(=O)Nc3cccnc3)cs2)c(C)c1Cl
InChIInChI=1S/C15H14ClN5OS/c1-9-14(16)10(2)21(20-9)15-19-12(8-23-15)6-13(22)18-11-4-3-5-17-7-11/h3-5,7-8H,6H2,1-2H3,(H,18,22)
InChIKeyYARCLELQIUDJLY-UHFFFAOYSA-N
XLogP3.18
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-pyridin-3-ylacetamide 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

2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-phenylacetamide
CID 50746050
N-(4-chlorophenyl)-2-[2-(3,5-dimethyl-4-pentylpyrazol-1-yl)-1,3-thiazol-4-yl]acetamide
CID 46269623
N-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 45497670
2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]-N-phenylacetamide
CID 50751077
N-(2-chlorophenyl)-2-[2-[3,5-dimethyl-4-(3-methylbutyl)pyrazol-1-yl]-1,3-thiazol-4-yl]acetamide
CID 46265481
2-[2-(3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)-1,3-thiazol-4-yl]-N-pyridin-3-ylacetamide
CID 139702381
2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-(3-chloro-2-methylphenyl)acetamide
CID 46265381
N-(4-fluorophenyl)-2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide
CID 50751083
2-[2-[3,5-dimethyl-4-(3-methylbutyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-N-(2,6-dimethylphenyl)acetamide
CID 46265487
2-[2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-1,3-thiazol-4-yl]-N-(2,6-dimethylphenyl)acetamide
CID 46265421
2-[2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 46265433
N-(5-chloro-2-methylphenyl)-2-[2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-1,3-thiazol-4-yl]acetamide
CID 46265419

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-pyridin-3-ylacetamide (CID 46269669) is 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-pyridin-3-ylacetamide is Cc1nn(-c2nc(CC(=O)Nc3cccnc3)cs2)c(C)c1Cl.
What is the InChIKey of 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-pyridin-3-ylacetamide?
The InChIKey is YARCLELQIUDJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5OS/c1-9-14(16)10(2)21(20-9)15-19-12(8-23-15)6-13(22)18-11-4-3-5-17-7-11/h3-5,7-8H,6H2,1-2H3,(H,18,22).
What are the key properties of 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-pyridin-3-ylacetamide?
2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-pyridin-3-ylacetamide has a molecular weight of 347.83 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 46269669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).