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

C12H10F3N7O2S — CID 137213940

IUPAC2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C(F)(F)F)n(-c2nc(C(=O)NCc3n[nH]c(=O)[nH]3)cs2)n1
InChIInChI=1S/C12H10F3N7O2S/c1-5-2-7(12(13,14)15)22(21-5)11-17-6(4-25-11)9(23)16-3-8-18-10(24)20-19-8/h2,4H,3H2,1H3,(H,16,23)(H2,18,19,20,24)
InChIKeyYTJOZEZBWLPCKU-UHFFFAOYSA-N
MW373.32 g/mol
LogP1.00
Rot. Bonds4

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

2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 137213940) has the molecular formula C12H10F3N7O2S and a molecular weight of 373.32 g/mol. Its IUPAC name is 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID137213940
Molecular FormulaC12H10F3N7O2S
Molecular Weight373.32 g/mol
Exact Mass373.06
IUPAC Name2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C(F)(F)F)n(-c2nc(C(=O)NCc3n[nH]c(=O)[nH]3)cs2)n1
InChIInChI=1S/C12H10F3N7O2S/c1-5-2-7(12(13,14)15)22(21-5)11-17-6(4-25-11)9(23)16-3-8-18-10(24)20-19-8/h2,4H,3H2,1H3,(H,16,23)(H2,18,19,20,24)
InChIKeyYTJOZEZBWLPCKU-UHFFFAOYSA-N
XLogP1.00
TPSA121.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.32
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide
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2-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide
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2-(3,5-Dimethylpyrazol-1-YL)-N-[2-(piperidine-1-sulfonyl)ethyl]-1,3-thiazole-4-carboxamide
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CID 72142629
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CID 71802113
(3,5-Dimethylpyrazol-1-yl)-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone
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rel-(1S,6R)-3-({2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}carbonyl)-3,9-diazabicyclo[4.2.1]nonane hydrochloride
CID 50982189
4-({2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}carbonyl)thiomorpholine
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4-methyl-1-({2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}carbonyl)-1,2,3,6-tetrahydropyridine
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2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[2-(1H-1,2,4-triazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide (CID 137213940) is 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide is Cc1cc(C(F)(F)F)n(-c2nc(C(=O)NCc3n[nH]c(=O)[nH]3)cs2)n1.
What is the InChIKey of 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is YTJOZEZBWLPCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N7O2S/c1-5-2-7(12(13,14)15)22(21-5)11-17-6(4-25-11)9(23)16-3-8-18-10(24)20-19-8/h2,4H,3H2,1H3,(H,16,23)(H2,18,19,20,24).
What are the key properties of 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide?
2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 373.32 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 137213940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).