4-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiadiazole-5-carboxamide

C10H10F3N5OS — CID 71808007

IUPAC4-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H10F3N5OS/c1-6-8(20-17-15-6)9(19)14-3-5-18-4-2-7(16-18)10(11,12)13/h2,4H,3,5H2,1H3,(H,14,19)
InChIKeyIBWUVHVBAABAFX-UHFFFAOYSA-N
MW305.29 g/mol
LogP1.49
Rot. Bonds4

About 4-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiadiazole-5-carboxamide

4-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiadiazole-5-carboxamide (PubChem CID 71808007) has the molecular formula C10H10F3N5OS and a molecular weight of 305.29 g/mol. Its IUPAC name is 4-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiadiazole-5-carboxamide
PubChem CID71808007
Molecular FormulaC10H10F3N5OS
Molecular Weight305.29 g/mol
Exact Mass305.06
IUPAC Name4-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H10F3N5OS/c1-6-8(20-17-15-6)9(19)14-3-5-18-4-2-7(16-18)10(11,12)13/h2,4H,3,5H2,1H3,(H,14,19)
InChIKeyIBWUVHVBAABAFX-UHFFFAOYSA-N
XLogP1.49
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiadiazole-5-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 4-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiadiazole-5-carboxamide (CID 71808007) is 4-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiadiazole-5-carboxamide is Cc1nnsc1C(=O)NCCn1ccc(C(F)(F)F)n1.
What is the InChIKey of 4-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiadiazole-5-carboxamide?
The InChIKey is IBWUVHVBAABAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5OS/c1-6-8(20-17-15-6)9(19)14-3-5-18-4-2-7(16-18)10(11,12)13/h2,4H,3,5H2,1H3,(H,14,19).
What are the key properties of 4-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiadiazole-5-carboxamide?
4-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiadiazole-5-carboxamide has a molecular weight of 305.29 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 71808007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).