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

C17H13F3N4O2S — CID 1478099

IUPACN-(3-acetylphenyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2csc(-n3nc(C)cc3C(F)(F)F)n2)c1
InChIInChI=1S/C17H13F3N4O2S/c1-9-6-14(17(18,19)20)24(23-9)16-22-13(8-27-16)15(26)21-12-5-3-4-11(7-12)10(2)25/h3-8H,1-2H3,(H,21,26)
InChIKeyXTENZWZDTHEQSI-UHFFFAOYSA-N
MW394.38 g/mol
LogP4.11
Rot. Bonds4

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

N-(3-acetylphenyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide (PubChem CID 1478099) has the molecular formula C17H13F3N4O2S and a molecular weight of 394.38 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide
PubChem CID1478099
Molecular FormulaC17H13F3N4O2S
Molecular Weight394.38 g/mol
Exact Mass394.07
IUPAC NameN-(3-acetylphenyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2csc(-n3nc(C)cc3C(F)(F)F)n2)c1
InChIInChI=1S/C17H13F3N4O2S/c1-9-6-14(17(18,19)20)24(23-9)16-22-13(8-27-16)15(26)21-12-5-3-4-11(7-12)10(2)25/h3-8H,1-2H3,(H,21,26)
InChIKeyXTENZWZDTHEQSI-UHFFFAOYSA-N
XLogP4.11
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide (CID 1478099) is N-(3-acetylphenyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide is CC(=O)c1cccc(NC(=O)c2csc(-n3nc(C)cc3C(F)(F)F)n2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is XTENZWZDTHEQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O2S/c1-9-6-14(17(18,19)20)24(23-9)16-22-13(8-27-16)15(26)21-12-5-3-4-11(7-12)10(2)25/h3-8H,1-2H3,(H,21,26).
What are the key properties of N-(3-acetylphenyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide?
N-(3-acetylphenyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 394.38 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 1478099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).