2-chloro-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide

C18H16ClN3OS — CID 32696154

IUPAC2-chloro-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCc1cc(C)c(-c2csc(NC(=O)c3ccnc(Cl)c3)n2)cc1C
InChIInChI=1S/C18H16ClN3OS/c1-10-6-12(3)14(7-11(10)2)15-9-24-18(21-15)22-17(23)13-4-5-20-16(19)8-13/h4-9H,1-3H3,(H,21,22,23)
InChIKeyMAWSCHSYBURXPC-UHFFFAOYSA-N
MW357.87 g/mol
LogP5.04
Rot. Bonds3

About 2-chloro-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide

2-chloro-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (PubChem CID 32696154) has the molecular formula C18H16ClN3OS and a molecular weight of 357.87 g/mol. Its IUPAC name is 2-chloro-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
PubChem CID32696154
Molecular FormulaC18H16ClN3OS
Molecular Weight357.87 g/mol
Exact Mass357.07
IUPAC Name2-chloro-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCc1cc(C)c(-c2csc(NC(=O)c3ccnc(Cl)c3)n2)cc1C
InChIInChI=1S/C18H16ClN3OS/c1-10-6-12(3)14(7-11(10)2)15-9-24-18(21-15)22-17(23)13-4-5-20-16(19)8-13/h4-9H,1-3H3,(H,21,22,23)
InChIKeyMAWSCHSYBURXPC-UHFFFAOYSA-N
XLogP5.04
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.87
LogP ≤ 55.04
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-(2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 58442503
2-chloro-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 32696321
N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide
CID 17471299
4-cyano-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 5198046
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
6-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide
CID 8005265
3,5-dimethyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide
CID 7924782
2-(4-chloro-3-methylphenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7924827
4-(cyclopropylsulfamoyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 41189388
6-chloro-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 39016010
5-pyridin-3-yl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 55699473

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (CID 32696154) is 2-chloro-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is Cc1cc(C)c(-c2csc(NC(=O)c3ccnc(Cl)c3)n2)cc1C.
What is the InChIKey of 2-chloro-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is MAWSCHSYBURXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3OS/c1-10-6-12(3)14(7-11(10)2)15-9-24-18(21-15)22-17(23)13-4-5-20-16(19)8-13/h4-9H,1-3H3,(H,21,22,23).
What are the key properties of 2-chloro-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
2-chloro-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 357.87 g/mol, XLogP of 5.04, 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-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 32696154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).