N-(2-fluoro-4-methylphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide

C17H12F2N2OS — CID 9455109

IUPACN-(2-fluoro-4-methylphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2csc(-c3ccc(F)cc3)n2)c(F)c1
InChIInChI=1S/C17H12F2N2OS/c1-10-2-7-14(13(19)8-10)20-16(22)15-9-23-17(21-15)11-3-5-12(18)6-4-11/h2-9H,1H3,(H,20,22)
InChIKeySNGRZFXTBWTTSH-UHFFFAOYSA-N
MW330.36 g/mol
LogP4.65
Rot. Bonds3

About N-(2-fluoro-4-methylphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide

N-(2-fluoro-4-methylphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 9455109) has the molecular formula C17H12F2N2OS and a molecular weight of 330.36 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID9455109
Molecular FormulaC17H12F2N2OS
Molecular Weight330.36 g/mol
Exact Mass330.06
IUPAC NameN-(2-fluoro-4-methylphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2csc(-c3ccc(F)cc3)n2)c(F)c1
InChIInChI=1S/C17H12F2N2OS/c1-10-2-7-14(13(19)8-10)20-16(22)15-9-23-17(21-15)11-3-5-12(18)6-4-11/h2-9H,1H3,(H,20,22)
InChIKeySNGRZFXTBWTTSH-UHFFFAOYSA-N
XLogP4.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-difluorophenyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 4529483
N-(2-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 26721200
N-(2-fluoro-5-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 38741743
N-(4-fluoro-2-methoxyphenyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 32610380
N-(4-acetamido-3-methoxyphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 87001763
2-(4-fluorophenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 18097614
N-(2-hydroxy-4-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 9087292
N-(5-chloro-2-pyridinyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 78824310
N-(5,6-difluoro-1H-indol-3-yl)-2-(3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 170195153
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanone
CID 64542603
2-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 9043781
2-(4-fluorophenyl)-N-[3-(methylsulfanylamino)phenyl]-1,3-thiazole-4-carboxamide
CID 169152175

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide (CID 9455109) is N-(2-fluoro-4-methylphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide is Cc1ccc(NC(=O)c2csc(-c3ccc(F)cc3)n2)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is SNGRZFXTBWTTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2OS/c1-10-2-7-14(13(19)8-10)20-16(22)15-9-23-17(21-15)11-3-5-12(18)6-4-11/h2-9H,1H3,(H,20,22).
What are the key properties of N-(2-fluoro-4-methylphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide?
N-(2-fluoro-4-methylphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 9455109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).