2-chloro-N-(3,5-difluorophenyl)-4-phenyl-1,3-thiazole-5-carboxamide

C16H9ClF2N2OS — CID 985821

IUPAC2-chloro-N-(3,5-difluorophenyl)-4-phenyl-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1cc(F)cc(F)c1)c1sc(Cl)nc1-c1ccccc1
InChIInChI=1S/C16H9ClF2N2OS/c17-16-21-13(9-4-2-1-3-5-9)14(23-16)15(22)20-12-7-10(18)6-11(19)8-12/h1-8H,(H,20,22)
InChIKeyXIUPPQHWJNAONM-UHFFFAOYSA-N
MW350.78 g/mol
LogP4.99
Rot. Bonds3

About 2-chloro-N-(3,5-difluorophenyl)-4-phenyl-1,3-thiazole-5-carboxamide

2-chloro-N-(3,5-difluorophenyl)-4-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 985821) has the molecular formula C16H9ClF2N2OS and a molecular weight of 350.78 g/mol. Its IUPAC name is 2-chloro-N-(3,5-difluorophenyl)-4-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3,5-difluorophenyl)-4-phenyl-1,3-thiazole-5-carboxamide
PubChem CID985821
Molecular FormulaC16H9ClF2N2OS
Molecular Weight350.78 g/mol
Exact Mass350.01
IUPAC Name2-chloro-N-(3,5-difluorophenyl)-4-phenyl-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1cc(F)cc(F)c1)c1sc(Cl)nc1-c1ccccc1
InChIInChI=1S/C16H9ClF2N2OS/c17-16-21-13(9-4-2-1-3-5-9)14(23-16)15(22)20-12-7-10(18)6-11(19)8-12/h1-8H,(H,20,22)
InChIKeyXIUPPQHWJNAONM-UHFFFAOYSA-N
XLogP4.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-2-phenyl-N-(4-sulfamoylphenyl)thiazole-5-carboxamide
CID 2814179
2-Chloro-4-Methyl-N-(Naphthalen-2-Yl)-1,3-Thiazole-5-Carboxamide
CID 850573
N-(2-fluoro-4-methylphenyl)-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644852
N-(3-fluoro-4-methylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 2548953
N-(3-acetylphenyl)-2-chloro-4-methyl-1,3-thiazole-5-carboxamide
CID 850553
N-(4-tert-butylphenyl)-2-chloro-4-methyl-1,3-thiazole-5-carboxamide
CID 850571
N-(2-ethylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 1331233
2-chloro-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 1818773
N-(4-(2-methylthiazol-4-yl)phenyl)-2-phenylacetamide
CID 2110572
N-(3-fluorophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 2986205
N-(2-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 23610162
2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 695122

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,5-difluorophenyl)-4-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-chloro-N-(3,5-difluorophenyl)-4-phenyl-1,3-thiazole-5-carboxamide (CID 985821) is 2-chloro-N-(3,5-difluorophenyl)-4-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-chloro-N-(3,5-difluorophenyl)-4-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-chloro-N-(3,5-difluorophenyl)-4-phenyl-1,3-thiazole-5-carboxamide is O=C(Nc1cc(F)cc(F)c1)c1sc(Cl)nc1-c1ccccc1.
What is the InChIKey of 2-chloro-N-(3,5-difluorophenyl)-4-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is XIUPPQHWJNAONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF2N2OS/c17-16-21-13(9-4-2-1-3-5-9)14(23-16)15(22)20-12-7-10(18)6-11(19)8-12/h1-8H,(H,20,22).
What are the key properties of 2-chloro-N-(3,5-difluorophenyl)-4-phenyl-1,3-thiazole-5-carboxamide?
2-chloro-N-(3,5-difluorophenyl)-4-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 350.78 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,5-difluorophenyl)-4-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 985821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).