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

C17H14ClN3O2S — CID 32696405

IUPAC2-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCOc1ccc(-c2nc(NC(=O)c3ccnc(Cl)c3)sc2C)cc1
InChIInChI=1S/C17H14ClN3O2S/c1-10-15(11-3-5-13(23-2)6-4-11)20-17(24-10)21-16(22)12-7-8-19-14(18)9-12/h3-9H,1-2H3,(H,20,21,22)
InChIKeySUOPWEGLGNVQMX-UHFFFAOYSA-N
MW359.84 g/mol
LogP4.43
Rot. Bonds4

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

2-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pyridine-4-carboxamide (PubChem CID 32696405) has the molecular formula C17H14ClN3O2S and a molecular weight of 359.84 g/mol. Its IUPAC name is 2-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pyridine-4-carboxamide
PubChem CID32696405
Molecular FormulaC17H14ClN3O2S
Molecular Weight359.84 g/mol
Exact Mass359.05
IUPAC Name2-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCOc1ccc(-c2nc(NC(=O)c3ccnc(Cl)c3)sc2C)cc1
InChIInChI=1S/C17H14ClN3O2S/c1-10-15(11-3-5-13(23-2)6-4-11)20-17(24-10)21-16(22)12-7-8-19-14(18)9-12/h3-9H,1-2H3,(H,20,21,22)
InChIKeySUOPWEGLGNVQMX-UHFFFAOYSA-N
XLogP4.43
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 7598306
4-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide
CID 26116977
N-[4-(3-chloro-4-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 2810041
4-tert-butyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 1315978
3-bromo-4-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 1136044
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 5203850
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 19211438
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-6-methylpyridine-2-carboxamide
CID 32939841
4-bromo-2-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 52670895
4-(2,5-dimethylpyrrol-1-yl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 7916056
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-5-methylthiophene-2-carboxamide
CID 4812490
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-methoxy-4-methylbenzamide
CID 18224890

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pyridine-4-carboxamide (CID 32696405) is 2-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pyridine-4-carboxamide is COc1ccc(-c2nc(NC(=O)c3ccnc(Cl)c3)sc2C)cc1.
What is the InChIKey of 2-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is SUOPWEGLGNVQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2S/c1-10-15(11-3-5-13(23-2)6-4-11)20-17(24-10)21-16(22)12-7-8-19-14(18)9-12/h3-9H,1-2H3,(H,20,21,22).
What are the key properties of 2-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pyridine-4-carboxamide?
2-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 359.84 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 32696405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).