4-(difluoromethyl)-N-propan-2-ylthiadiazole-5-carboxamide

C7H9F2N3OS — CID 142383518

IUPAC4-(difluoromethyl)-N-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)NC(=O)c1snnc1C(F)F
InChIInChI=1S/C7H9F2N3OS/c1-3(2)10-7(13)5-4(6(8)9)11-12-14-5/h3,6H,1-2H3,(H,10,13)
InChIKeyIXSJYHFQNFQCBS-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.61
Rot. Bonds3

About 4-(difluoromethyl)-N-propan-2-ylthiadiazole-5-carboxamide

4-(difluoromethyl)-N-propan-2-ylthiadiazole-5-carboxamide (PubChem CID 142383518) has the molecular formula C7H9F2N3OS and a molecular weight of 221.23 g/mol. Its IUPAC name is 4-(difluoromethyl)-N-propan-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-(difluoromethyl)-N-propan-2-ylthiadiazole-5-carboxamide
PubChem CID142383518
Molecular FormulaC7H9F2N3OS
Molecular Weight221.23 g/mol
Exact Mass221.04
IUPAC Name4-(difluoromethyl)-N-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)NC(=O)c1snnc1C(F)F
InChIInChI=1S/C7H9F2N3OS/c1-3(2)10-7(13)5-4(6(8)9)11-12-14-5/h3,6H,1-2H3,(H,10,13)
InChIKeyIXSJYHFQNFQCBS-UHFFFAOYSA-N
XLogP1.61
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(difluoromethyl)-N-propan-2-ylthiadiazole-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-(difluoromethyl)-N-propan-2-ylthiadiazole-5-carboxamide?
The IUPAC name of 4-(difluoromethyl)-N-propan-2-ylthiadiazole-5-carboxamide (CID 142383518) is 4-(difluoromethyl)-N-propan-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for 4-(difluoromethyl)-N-propan-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for 4-(difluoromethyl)-N-propan-2-ylthiadiazole-5-carboxamide is CC(C)NC(=O)c1snnc1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-N-propan-2-ylthiadiazole-5-carboxamide?
The InChIKey is IXSJYHFQNFQCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3OS/c1-3(2)10-7(13)5-4(6(8)9)11-12-14-5/h3,6H,1-2H3,(H,10,13).
What are the key properties of 4-(difluoromethyl)-N-propan-2-ylthiadiazole-5-carboxamide?
4-(difluoromethyl)-N-propan-2-ylthiadiazole-5-carboxamide has a molecular weight of 221.23 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-N-propan-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 142383518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).