4-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-5-methyl-1,2-thiazole-3-carboxamide

C16H11ClF4N4OS — CID 90393685

IUPAC4-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-5-methyl-1,2-thiazole-3-carboxamide
SMILESCc1snc(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)c(F)c2)c1Cl
InChIInChI=1S/C16H11ClF4N4OS/c1-7-13(17)14(24-27-7)15(26)22-8-3-4-9(10(18)5-8)11-6-12(16(19,20)21)23-25(11)2/h3-6H,1-2H3,(H,22,26)
InChIKeyXGPJLHJLYMMWLL-UHFFFAOYSA-N
MW418.80 g/mol
LogP4.92
Rot. Bonds3

About 4-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-5-methyl-1,2-thiazole-3-carboxamide

4-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-5-methyl-1,2-thiazole-3-carboxamide (PubChem CID 90393685) has the molecular formula C16H11ClF4N4OS and a molecular weight of 418.80 g/mol. Its IUPAC name is 4-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-5-methyl-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-5-methyl-1,2-thiazole-3-carboxamide
PubChem CID90393685
Molecular FormulaC16H11ClF4N4OS
Molecular Weight418.80 g/mol
Exact Mass418.03
IUPAC Name4-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-5-methyl-1,2-thiazole-3-carboxamide
SMILESCc1snc(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)c(F)c2)c1Cl
InChIInChI=1S/C16H11ClF4N4OS/c1-7-13(17)14(24-27-7)15(26)22-8-3-4-9(10(18)5-8)11-6-12(16(19,20)21)23-25(11)2/h3-6H,1-2H3,(H,22,26)
InChIKeyXGPJLHJLYMMWLL-UHFFFAOYSA-N
XLogP4.92
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.80
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 90395928
N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 90393640
4-ethyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,2-thiazole-5-carboxamide
CID 90393649
2,4-difluoro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide
CID 90393863
N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 90393664
N-[4-[3-(1,1-difluorobut-3-enyl)-1-methylpyrazol-5-yl]-3-fluorophenyl]-5-methyl-1,3-thiazole-4-carboxamide
CID 123490313
4-chloro-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 155398841
N-[4-chloro-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]cyclopropanecarboxamide
CID 139759857
N-[4-[3-(1,1-difluorobut-3-enyl)-1-methylpyrazol-5-yl]-3-fluorophenyl]-3-methylpyridine-4-carboxamide
CID 123183340
N-(1,2,3-benzothiadiazol-5-yl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide
CID 54596474
N-(3-chloro-4-phenylphenyl)-3,6-dimethyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide
CID 118518793
3-fluoro-N-[(4-methyl-3-pyridinyl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline
CID 71554165

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-5-methyl-1,2-thiazole-3-carboxamide?
The IUPAC name of 4-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-5-methyl-1,2-thiazole-3-carboxamide (CID 90393685) is 4-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-5-methyl-1,2-thiazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-5-methyl-1,2-thiazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-5-methyl-1,2-thiazole-3-carboxamide is Cc1snc(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)c(F)c2)c1Cl.
What is the InChIKey of 4-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-5-methyl-1,2-thiazole-3-carboxamide?
The InChIKey is XGPJLHJLYMMWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF4N4OS/c1-7-13(17)14(24-27-7)15(26)22-8-3-4-9(10(18)5-8)11-6-12(16(19,20)21)23-25(11)2/h3-6H,1-2H3,(H,22,26).
What are the key properties of 4-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-5-methyl-1,2-thiazole-3-carboxamide?
4-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-5-methyl-1,2-thiazole-3-carboxamide has a molecular weight of 418.80 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-5-methyl-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 90393685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).