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

C17H14F4N4OS — CID 90393649

IUPAC4-ethyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,2-thiazole-5-carboxamide
SMILESCCc1cnsc1C(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)c(F)c1
InChIInChI=1S/C17H14F4N4OS/c1-3-9-8-22-27-15(9)16(26)23-10-4-5-11(12(18)6-10)13-7-14(17(19,20)21)24-25(13)2/h4-8H,3H2,1-2H3,(H,23,26)
InChIKeyYEFWJAYFCJUIMY-UHFFFAOYSA-N
MW398.39 g/mol
LogP4.52
Rot. Bonds4

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

4-ethyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,2-thiazole-5-carboxamide (PubChem CID 90393649) has the molecular formula C17H14F4N4OS and a molecular weight of 398.39 g/mol. Its IUPAC name is 4-ethyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,2-thiazole-5-carboxamide
PubChem CID90393649
Molecular FormulaC17H14F4N4OS
Molecular Weight398.39 g/mol
Exact Mass398.08
IUPAC Name4-ethyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,2-thiazole-5-carboxamide
SMILESCCc1cnsc1C(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)c(F)c1
InChIInChI=1S/C17H14F4N4OS/c1-3-9-8-22-27-15(9)16(26)23-10-4-5-11(12(18)6-10)13-7-14(17(19,20)21)24-25(13)2/h4-8H,3H2,1-2H3,(H,23,26)
InChIKeyYEFWJAYFCJUIMY-UHFFFAOYSA-N
XLogP4.52
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 54.52
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
N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 90395928
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
3-fluoro-N-[(4-methyl-3-pyridinyl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline
CID 71554165
N-[4-[3-(1,1-difluorobut-3-enyl)-1-methylpyrazol-5-yl]-3-fluorophenyl]-3-methylpyridine-4-carboxamide
CID 123183340
N-[4-[3-(1,1-difluorobut-3-enyl)-1-methylpyrazol-5-yl]-3-fluorophenyl]-5-methyl-1,3-thiazole-4-carboxamide
CID 123490313
N-(1,2,3-benzothiadiazol-5-yl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide
CID 54596474
3-fluoro-N-[(2-fluoro-6-methylphenyl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline
CID 71554071
4-chloro-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 155398841
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 4-ethyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,2-thiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,2-thiazole-5-carboxamide (CID 90393649) is 4-ethyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,2-thiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,2-thiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,2-thiazole-5-carboxamide is CCc1cnsc1C(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)c(F)c1.
What is the InChIKey of 4-ethyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,2-thiazole-5-carboxamide?
The InChIKey is YEFWJAYFCJUIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F4N4OS/c1-3-9-8-22-27-15(9)16(26)23-10-4-5-11(12(18)6-10)13-7-14(17(19,20)21)24-25(13)2/h4-8H,3H2,1-2H3,(H,23,26).
What are the key properties of 4-ethyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,2-thiazole-5-carboxamide?
4-ethyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,2-thiazole-5-carboxamide has a molecular weight of 398.39 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 90393649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).