3-(3,4-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)-1,2-thiazole-5-carboxamide

C17H13Cl2N3OS — CID 126798321

IUPAC3-(3,4-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)-1,2-thiazole-5-carboxamide
SMILESCN(Cc1ccccn1)C(=O)c1cc(-c2ccc(Cl)c(Cl)c2)ns1
InChIInChI=1S/C17H13Cl2N3OS/c1-22(10-12-4-2-3-7-20-12)17(23)16-9-15(21-24-16)11-5-6-13(18)14(19)8-11/h2-9H,10H2,1H3
InChIKeyGNFJVWOQVYSCEP-UHFFFAOYSA-N
MW378.28 g/mol
LogP4.78
Rot. Bonds4

About 3-(3,4-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)-1,2-thiazole-5-carboxamide

3-(3,4-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)-1,2-thiazole-5-carboxamide (PubChem CID 126798321) has the molecular formula C17H13Cl2N3OS and a molecular weight of 378.28 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)-1,2-thiazole-5-carboxamide
PubChem CID126798321
Molecular FormulaC17H13Cl2N3OS
Molecular Weight378.28 g/mol
Exact Mass377.02
IUPAC Name3-(3,4-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)-1,2-thiazole-5-carboxamide
SMILESCN(Cc1ccccn1)C(=O)c1cc(-c2ccc(Cl)c(Cl)c2)ns1
InChIInChI=1S/C17H13Cl2N3OS/c1-22(10-12-4-2-3-7-20-12)17(23)16-9-15(21-24-16)11-5-6-13(18)14(19)8-11/h2-9H,10H2,1H3
InChIKeyGNFJVWOQVYSCEP-UHFFFAOYSA-N
XLogP4.78
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.28
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(3,4-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)-1,2-thiazole-5-carboxamide 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

CID 69258575
CID 69258575
potassium;hydride;N-methyl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 173152580
3-chloro-6-(ethylamino)-N-methyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 62168209
N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 55981283
5-chloro-2-hydroxy-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 43565718
4-chloro-2-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 86824171
5-chloro-N-methyl-2-(methylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 62167870
trans-(1S,2S)-2-(3,4-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 95247432
4-amino-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 43564701
3-(3,4-dichlorophenyl)-N-methylsulfonyl-1,2-thiazole-5-carboxamide
CID 146154175
6-(2-chlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42530318
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 86839956

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)-1,2-thiazole-5-carboxamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)-1,2-thiazole-5-carboxamide (CID 126798321) is 3-(3,4-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)-1,2-thiazole-5-carboxamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)-1,2-thiazole-5-carboxamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)-1,2-thiazole-5-carboxamide is CN(Cc1ccccn1)C(=O)c1cc(-c2ccc(Cl)c(Cl)c2)ns1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)-1,2-thiazole-5-carboxamide?
The InChIKey is GNFJVWOQVYSCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3OS/c1-22(10-12-4-2-3-7-20-12)17(23)16-9-15(21-24-16)11-5-6-13(18)14(19)8-11/h2-9H,10H2,1H3.
What are the key properties of 3-(3,4-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)-1,2-thiazole-5-carboxamide?
3-(3,4-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)-1,2-thiazole-5-carboxamide has a molecular weight of 378.28 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 126798321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).