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

C22H16F4N4OS — CID 90393664

IUPACN-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)c(F)c1
InChIInChI=1S/C22H16F4N4OS/c1-12-19(32-21(27-12)13-6-4-3-5-7-13)20(31)28-14-8-9-15(16(23)10-14)17-11-18(22(24,25)26)29-30(17)2/h3-11H,1-2H3,(H,28,31)
InChIKeyPGNSVXOLVHUYPR-UHFFFAOYSA-N
MW460.46 g/mol
LogP5.93
Rot. Bonds4

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

N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 90393664) has the molecular formula C22H16F4N4OS and a molecular weight of 460.46 g/mol. Its IUPAC name is N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID90393664
Molecular FormulaC22H16F4N4OS
Molecular Weight460.46 g/mol
Exact Mass460.10
IUPAC NameN-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)c(F)c1
InChIInChI=1S/C22H16F4N4OS/c1-12-19(32-21(27-12)13-6-4-3-5-7-13)20(31)28-14-8-9-15(16(23)10-14)17-11-18(22(24,25)26)29-30(17)2/h3-11H,1-2H3,(H,28,31)
InChIKeyPGNSVXOLVHUYPR-UHFFFAOYSA-N
XLogP5.93
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.46
LogP ≤ 55.93
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
4-methyl-N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 18588468
N-(2-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 23610162
4-methyl-2-phenyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole-5-carboxamide
CID 46470345
N-(3-chloro-4-phenylphenyl)-3,6-dimethyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide
CID 118518793
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 55710724
N-(5-methoxy-1-methylpyrazol-3-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 86797967
3-[4-methyl-5-(phenylcarbamoyl)-1,3-thiazol-2-yl]benzoic acid
CID 51115527
N-(2-fluoro-5-methylsulfonylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 27677610

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (CID 90393664) is N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)c(F)c1.
What is the InChIKey of N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is PGNSVXOLVHUYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F4N4OS/c1-12-19(32-21(27-12)13-6-4-3-5-7-13)20(31)28-14-8-9-15(16(23)10-14)17-11-18(22(24,25)26)29-30(17)2/h3-11H,1-2H3,(H,28,31).
What are the key properties of N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 460.46 g/mol, XLogP of 5.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 90393664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).