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

C12H7F3N4O2S — CID 69300880

IUPAC2-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(-n2nc(C(F)(F)F)cc2-c2ccco2)n1
InChIInChI=1S/C12H7F3N4O2S/c13-12(14,15)9-4-7(8-2-1-3-21-8)19(18-9)11-17-6(5-22-11)10(16)20/h1-5H,(H2,16,20)
InChIKeyZCMVMZJQYGSXEJ-UHFFFAOYSA-N
MW328.28 g/mol
LogP2.71
Rot. Bonds3

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

2-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide (PubChem CID 69300880) has the molecular formula C12H7F3N4O2S and a molecular weight of 328.28 g/mol. Its IUPAC name is 2-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide
PubChem CID69300880
Molecular FormulaC12H7F3N4O2S
Molecular Weight328.28 g/mol
Exact Mass328.02
IUPAC Name2-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(-n2nc(C(F)(F)F)cc2-c2ccco2)n1
InChIInChI=1S/C12H7F3N4O2S/c13-12(14,15)9-4-7(8-2-1-3-21-8)19(18-9)11-17-6(5-22-11)10(16)20/h1-5H,(H2,16,20)
InChIKeyZCMVMZJQYGSXEJ-UHFFFAOYSA-N
XLogP2.71
TPSA86.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide (CID 69300880) is 2-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide is NC(=O)c1csc(-n2nc(C(F)(F)F)cc2-c2ccco2)n1.
What is the InChIKey of 2-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is ZCMVMZJQYGSXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N4O2S/c13-12(14,15)9-4-7(8-2-1-3-21-8)19(18-9)11-17-6(5-22-11)10(16)20/h1-5H,(H2,16,20).
What are the key properties of 2-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide?
2-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 328.28 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 69300880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).