N-(2-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide

C17H12ClFN2O2S — CID 99812022

IUPACN-(2-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2ncc(C(=O)Nc3ccc(F)cc3Cl)s2)cc1
InChIInChI=1S/C17H12ClFN2O2S/c1-23-12-5-2-10(3-6-12)17-20-9-15(24-17)16(22)21-14-7-4-11(19)8-13(14)18/h2-9H,1H3,(H,21,22)
InChIKeyBATUKKYQJSIXKG-UHFFFAOYSA-N
MW362.81 g/mol
LogP4.86
Rot. Bonds4

About N-(2-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide

N-(2-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 99812022) has the molecular formula C17H12ClFN2O2S and a molecular weight of 362.81 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
PubChem CID99812022
Molecular FormulaC17H12ClFN2O2S
Molecular Weight362.81 g/mol
Exact Mass362.03
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2ncc(C(=O)Nc3ccc(F)cc3Cl)s2)cc1
InChIInChI=1S/C17H12ClFN2O2S/c1-23-12-5-2-10(3-6-12)17-20-9-15(24-17)16(22)21-14-7-4-11(19)8-13(14)18/h2-9H,1H3,(H,21,22)
InChIKeyBATUKKYQJSIXKG-UHFFFAOYSA-N
XLogP4.86
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide
CID 82424257
N-(2,5-dimethoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 46460468
N-(5-chloro-2-methoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 55704407
N-(4-fluoro-2-methoxyphenyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 32610380
N-benzyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 117084347
N-(2-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 26721200
N-(2,4-dichlorophenyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 27666998
amino 2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 141145829
(4-fluorophenyl)-[4-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]methanone
CID 139004966
methyl N-(2-chloro-4-fluorophenyl)carbamate
CID 115579852
methyl 3-fluoro-4-methyl-5-[(2-phenyl-1,3-thiazole-5-carbonyl)amino]benzoate
CID 99704090
6-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]hexanoic acid
CID 119220256

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide (CID 99812022) is N-(2-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide is COc1ccc(-c2ncc(C(=O)Nc3ccc(F)cc3Cl)s2)cc1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is BATUKKYQJSIXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O2S/c1-23-12-5-2-10(3-6-12)17-20-9-15(24-17)16(22)21-14-7-4-11(19)8-13(14)18/h2-9H,1H3,(H,21,22).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide?
N-(2-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 362.81 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 99812022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).