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

C12H8F3N5OS2 — CID 1481771

IUPAC2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(C(F)(F)F)n(-c2nc(C(=O)Nc3nccs3)cs2)n1
InChIInChI=1S/C12H8F3N5OS2/c1-6-4-8(12(13,14)15)20(19-6)11-17-7(5-23-11)9(21)18-10-16-2-3-22-10/h2-5H,1H3,(H,16,18,21)
InChIKeyMLOCNRMJBDOPFQ-UHFFFAOYSA-N
MW359.36 g/mol
LogP3.36
Rot. Bonds3

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

2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 1481771) has the molecular formula C12H8F3N5OS2 and a molecular weight of 359.36 g/mol. Its IUPAC name is 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID1481771
Molecular FormulaC12H8F3N5OS2
Molecular Weight359.36 g/mol
Exact Mass359.01
IUPAC Name2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(C(F)(F)F)n(-c2nc(C(=O)Nc3nccs3)cs2)n1
InChIInChI=1S/C12H8F3N5OS2/c1-6-4-8(12(13,14)15)20(19-6)11-17-7(5-23-11)9(21)18-10-16-2-3-22-10/h2-5H,1H3,(H,16,18,21)
InChIKeyMLOCNRMJBDOPFQ-UHFFFAOYSA-N
XLogP3.36
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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1,5-dimethyl-N-(thiazol-2-yl)-1H-pyrazole-3-carboxamide
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(3,5-Dimethylpyrazol-1-yl)-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (CID 1481771) is 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is Cc1cc(C(F)(F)F)n(-c2nc(C(=O)Nc3nccs3)cs2)n1.
What is the InChIKey of 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is MLOCNRMJBDOPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N5OS2/c1-6-4-8(12(13,14)15)20(19-6)11-17-7(5-23-11)9(21)18-10-16-2-3-22-10/h2-5H,1H3,(H,16,18,21).
What are the key properties of 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 359.36 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 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-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 1481771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).