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

C16H12F4N4OS — CID 90395928

IUPACN-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-methyl-1,2-thiazole-4-carboxamide
SMILESCc1nscc1C(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)c(F)c1
InChIInChI=1S/C16H12F4N4OS/c1-8-11(7-26-23-8)15(25)21-9-3-4-10(12(17)5-9)13-6-14(16(18,19)20)22-24(13)2/h3-7H,1-2H3,(H,21,25)
InChIKeyHMXQTHKWBGXDKC-UHFFFAOYSA-N
MW384.36 g/mol
LogP4.26
Rot. Bonds3

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

N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-methyl-1,2-thiazole-4-carboxamide (PubChem CID 90395928) has the molecular formula C16H12F4N4OS and a molecular weight of 384.36 g/mol. Its IUPAC name is N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-methyl-1,2-thiazole-4-carboxamide
PubChem CID90395928
Molecular FormulaC16H12F4N4OS
Molecular Weight384.36 g/mol
Exact Mass384.07
IUPAC NameN-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-methyl-1,2-thiazole-4-carboxamide
SMILESCc1nscc1C(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)c(F)c1
InChIInChI=1S/C16H12F4N4OS/c1-8-11(7-26-23-8)15(25)21-9-3-4-10(12(17)5-9)13-6-14(16(18,19)20)22-24(13)2/h3-7H,1-2H3,(H,21,25)
InChIKeyHMXQTHKWBGXDKC-UHFFFAOYSA-N
XLogP4.26
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-difluoro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide
CID 90393863
4-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-5-methyl-1,2-thiazole-3-carboxamide
CID 90393685
N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 90393640
N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 90393664
4-ethyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,2-thiazole-5-carboxamide
CID 90393649
N-[4-[3-(1,1-difluorobut-3-enyl)-1-methylpyrazol-5-yl]-3-fluorophenyl]-3-methylpyridine-4-carboxamide
CID 123183340
3-fluoro-N-[(2-fluoro-6-methylphenyl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline
CID 71554071
N-[4-[3-(1,1-difluorobut-3-enyl)-1-methylpyrazol-5-yl]-3-fluorophenyl]-5-methyl-1,3-thiazole-4-carboxamide
CID 123490313
3-fluoro-N-[(4-methyl-3-pyridinyl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline
CID 71554165
4-chloro-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 155398841
N-(1,2,3-benzothiadiazol-5-yl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide
CID 54596474
4-bromo-3-fluoroaniline;2,6-difluoro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide;N-[(2,6-difluorophenyl)methyl]-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline;3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid
CID 158217848

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-methyl-1,2-thiazole-4-carboxamide (CID 90395928) is N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-methyl-1,2-thiazole-4-carboxamide is Cc1nscc1C(=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]-3-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is HMXQTHKWBGXDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4N4OS/c1-8-11(7-26-23-8)15(25)21-9-3-4-10(12(17)5-9)13-6-14(16(18,19)20)22-24(13)2/h3-7H,1-2H3,(H,21,25).
What are the key properties of N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-methyl-1,2-thiazole-4-carboxamide?
N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 384.36 g/mol, XLogP of 4.26, 3 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]-3-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 90395928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).