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

C10H6ClFN2OS — CID 116891997

IUPAC2-(5-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(-c2cc(Cl)ccc2F)n1
InChIInChI=1S/C10H6ClFN2OS/c11-5-1-2-7(12)6(3-5)10-14-8(4-16-10)9(13)15/h1-4H,(H2,13,15)
InChIKeyGZHOKQOSVZWKMF-UHFFFAOYSA-N
MW256.69 g/mol
LogP2.70
Rot. Bonds2

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

2-(5-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 116891997) has the molecular formula C10H6ClFN2OS and a molecular weight of 256.69 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID116891997
Molecular FormulaC10H6ClFN2OS
Molecular Weight256.69 g/mol
Exact Mass255.99
IUPAC Name2-(5-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(-c2cc(Cl)ccc2F)n1
InChIInChI=1S/C10H6ClFN2OS/c11-5-1-2-7(12)6(3-5)10-14-8(4-16-10)9(13)15/h1-4H,(H2,13,15)
InChIKeyGZHOKQOSVZWKMF-UHFFFAOYSA-N
XLogP2.70
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 116891977
2-(5-chloro-2-fluoro-4-hydroxyphenyl)-1,3-thiazole-4-carboxamide
CID 138377814
1-[2-(5-chloro-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 116890262
1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]-2-chloroethanone
CID 114893721
2-(2,5-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 116891955
2-(2-bromophenyl)-1,3-thiazole-4-carboxamide
CID 116892022
2-(2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 43142306
N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 56507019
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
ethyl 2-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 115422462
6-chloro-5-fluoropyridine-2-carboxamide
CID 131442964

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxamide (CID 116891997) is 2-(5-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxamide is NC(=O)c1csc(-c2cc(Cl)ccc2F)n1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is GZHOKQOSVZWKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN2OS/c11-5-1-2-7(12)6(3-5)10-14-8(4-16-10)9(13)15/h1-4H,(H2,13,15).
What are the key properties of 2-(5-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxamide?
2-(5-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 256.69 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 116891997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).