2-chloro-N-[4-(2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide

C17H14ClN3OS — CID 58442503

IUPAC2-chloro-N-[4-(2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCc1cccc(C)c1-c1csc(NC(=O)c2ccnc(Cl)c2)n1
InChIInChI=1S/C17H14ClN3OS/c1-10-4-3-5-11(2)15(10)13-9-23-17(20-13)21-16(22)12-6-7-19-14(18)8-12/h3-9H,1-2H3,(H,20,21,22)
InChIKeyBZMSGSRNQPAZPI-UHFFFAOYSA-N
MW343.84 g/mol
LogP4.73
Rot. Bonds3

About 2-chloro-N-[4-(2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide

2-chloro-N-[4-(2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (PubChem CID 58442503) has the molecular formula C17H14ClN3OS and a molecular weight of 343.84 g/mol. Its IUPAC name is 2-chloro-N-[4-(2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[4-(2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
PubChem CID58442503
Molecular FormulaC17H14ClN3OS
Molecular Weight343.84 g/mol
Exact Mass343.05
IUPAC Name2-chloro-N-[4-(2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCc1cccc(C)c1-c1csc(NC(=O)c2ccnc(Cl)c2)n1
InChIInChI=1S/C17H14ClN3OS/c1-10-4-3-5-11(2)15(10)13-9-23-17(20-13)21-16(22)12-6-7-19-14(18)8-12/h3-9H,1-2H3,(H,20,21,22)
InChIKeyBZMSGSRNQPAZPI-UHFFFAOYSA-N
XLogP4.73
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 32696154
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-chloropyridine-4-carboxamide
CID 2800686
2,6-dichloro-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 78868970
2-chloro-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 32696321
N-[4-(4-hydroxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 86690827
N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-3-fluoro-4-methylbenzamide
CID 39036652
3-chloro-N-[4-[2-[(3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
CID 4684808
N-[4-(4-ethoxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 88901625
2-fluoro-N-[4-[4-(4-methoxyphenoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 53389651
6-chloro-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 39016010
4-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4220609
3-chloro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 4115065

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[4-(2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (CID 58442503) is 2-chloro-N-[4-(2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[4-(2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[4-(2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is Cc1cccc(C)c1-c1csc(NC(=O)c2ccnc(Cl)c2)n1.
What is the InChIKey of 2-chloro-N-[4-(2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is BZMSGSRNQPAZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3OS/c1-10-4-3-5-11(2)15(10)13-9-23-17(20-13)21-16(22)12-6-7-19-14(18)8-12/h3-9H,1-2H3,(H,20,21,22).
What are the key properties of 2-chloro-N-[4-(2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
2-chloro-N-[4-(2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 343.84 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 58442503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).