2-(5-chloro-2-fluoro-4-hydroxyphenyl)-1,3-thiazole-4-carboxamide

C10H6ClFN2O2S — CID 138377814

IUPAC2-(5-chloro-2-fluoro-4-hydroxyphenyl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(-c2cc(Cl)c(O)cc2F)n1
InChIInChI=1S/C10H6ClFN2O2S/c11-5-1-4(6(12)2-8(5)15)10-14-7(3-17-10)9(13)16/h1-3,15H,(H2,13,16)
InChIKeyLPJFLZQCMGVKRE-UHFFFAOYSA-N
MW272.69 g/mol
LogP2.41
Rot. Bonds2

About 2-(5-chloro-2-fluoro-4-hydroxyphenyl)-1,3-thiazole-4-carboxamide

2-(5-chloro-2-fluoro-4-hydroxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 138377814) has the molecular formula C10H6ClFN2O2S and a molecular weight of 272.69 g/mol. Its IUPAC name is 2-(5-chloro-2-fluoro-4-hydroxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(5-chloro-2-fluoro-4-hydroxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID138377814
Molecular FormulaC10H6ClFN2O2S
Molecular Weight272.69 g/mol
Exact Mass271.98
IUPAC Name2-(5-chloro-2-fluoro-4-hydroxyphenyl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(-c2cc(Cl)c(O)cc2F)n1
InChIInChI=1S/C10H6ClFN2O2S/c11-5-1-4(6(12)2-8(5)15)10-14-7(3-17-10)9(13)16/h1-3,15H,(H2,13,16)
InChIKeyLPJFLZQCMGVKRE-UHFFFAOYSA-N
XLogP2.41
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 116891997
2-(2,5-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 116891977
4-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-chloro-5-fluorophenol
CID 137335223
2-(5-bromo-3-chloro-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 91205174
1-[2-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazol-4-yl]ethanone
CID 116890235
2-(2,5-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 116891955
2-(2-bromophenyl)-1,3-thiazole-4-carboxamide
CID 116892022
4-(6-amino-2,4-dimethyl-3-pyridinyl)-2-chloro-5-fluorophenol
CID 138377746
3-(5-chloro-2-fluoro-4-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136991106
2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 116891994
2-(2,4-difluorophenyl)-1,3-thiazole-4-carbohydrazide
CID 2744035
2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxamide;(4R,7S)-tricyclo[5.1.0.02,4]octane
CID 158555403

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluoro-4-hydroxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(5-chloro-2-fluoro-4-hydroxyphenyl)-1,3-thiazole-4-carboxamide (CID 138377814) is 2-(5-chloro-2-fluoro-4-hydroxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(5-chloro-2-fluoro-4-hydroxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(5-chloro-2-fluoro-4-hydroxyphenyl)-1,3-thiazole-4-carboxamide is NC(=O)c1csc(-c2cc(Cl)c(O)cc2F)n1.
What is the InChIKey of 2-(5-chloro-2-fluoro-4-hydroxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is LPJFLZQCMGVKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN2O2S/c11-5-1-4(6(12)2-8(5)15)10-14-7(3-17-10)9(13)16/h1-3,15H,(H2,13,16).
What are the key properties of 2-(5-chloro-2-fluoro-4-hydroxyphenyl)-1,3-thiazole-4-carboxamide?
2-(5-chloro-2-fluoro-4-hydroxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 272.69 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluoro-4-hydroxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 138377814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).