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

C14H10F3N5OS — CID 1487644

IUPAC2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-3-yl-1,3-thiazole-4-carboxamide
SMILESCc1cc(C(F)(F)F)n(-c2nc(C(=O)Nc3cccnc3)cs2)n1
InChIInChI=1S/C14H10F3N5OS/c1-8-5-11(14(15,16)17)22(21-8)13-20-10(7-24-13)12(23)19-9-3-2-4-18-6-9/h2-7H,1H3,(H,19,23)
InChIKeySYGFLBWWBPGLBP-UHFFFAOYSA-N
MW353.33 g/mol
LogP3.30
Rot. Bonds3

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

2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 1487644) has the molecular formula C14H10F3N5OS and a molecular weight of 353.33 g/mol. Its IUPAC name is 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-3-yl-1,3-thiazole-4-carboxamide
PubChem CID1487644
Molecular FormulaC14H10F3N5OS
Molecular Weight353.33 g/mol
Exact Mass353.06
IUPAC Name2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-3-yl-1,3-thiazole-4-carboxamide
SMILESCc1cc(C(F)(F)F)n(-c2nc(C(=O)Nc3cccnc3)cs2)n1
InChIInChI=1S/C14H10F3N5OS/c1-8-5-11(14(15,16)17)22(21-8)13-20-10(7-24-13)12(23)19-9-3-2-4-18-6-9/h2-7H,1H3,(H,19,23)
InChIKeySYGFLBWWBPGLBP-UHFFFAOYSA-N
XLogP3.30
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide
CID 131926908
N'-(benzenesulfonyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide
CID 1478061
2-bromo-N-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 141426406
2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N'-(2-nitrophenyl)sulfonyl-1,3-thiazole-4-carbohydrazide
CID 3451644
(2S,4S)-4-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbonyl]amino]pyrrolidine-2-carboxylic acid
CID 119073903
2-(2,6-difluorophenyl)-N-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 90286701
2-benzyl-N-pyridin-3-yl-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 154885366
2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-pyridin-3-ylacetamide
CID 46269669
2-[3-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide
CID 4873431
ethyl 1-[4-[(3-chlorophenyl)carbamoyl]-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 66939162
[(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone
CID 56758357
2-N,4-N,6-N-tripyridin-3-ylpyrimidine-2,4,6-tricarboxamide
CID 144765692

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-3-yl-1,3-thiazole-4-carboxamide (CID 1487644) is 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-3-yl-1,3-thiazole-4-carboxamide is Cc1cc(C(F)(F)F)n(-c2nc(C(=O)Nc3cccnc3)cs2)n1.
What is the InChIKey of 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is SYGFLBWWBPGLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5OS/c1-8-5-11(14(15,16)17)22(21-8)13-20-10(7-24-13)12(23)19-9-3-2-4-18-6-9/h2-7H,1H3,(H,19,23).
What are the key properties of 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-3-yl-1,3-thiazole-4-carboxamide?
2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 353.33 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 1487644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).