4-(difluoromethyl)-N-(2-fluoro-5-methylphenyl)-N-methylthiadiazole-5-carboxamide

C12H10F3N3OS — CID 135153543

IUPAC4-(difluoromethyl)-N-(2-fluoro-5-methylphenyl)-N-methylthiadiazole-5-carboxamide
SMILESCc1ccc(F)c(N(C)C(=O)c2snnc2C(F)F)c1
InChIInChI=1S/C12H10F3N3OS/c1-6-3-4-7(13)8(5-6)18(2)12(19)10-9(11(14)15)16-17-20-10/h3-5,11H,1-2H3
InChIKeyCNVHUHASQUJLMM-UHFFFAOYSA-N
MW301.29 g/mol
LogP3.20
Rot. Bonds3

About 4-(difluoromethyl)-N-(2-fluoro-5-methylphenyl)-N-methylthiadiazole-5-carboxamide

4-(difluoromethyl)-N-(2-fluoro-5-methylphenyl)-N-methylthiadiazole-5-carboxamide (PubChem CID 135153543) has the molecular formula C12H10F3N3OS and a molecular weight of 301.29 g/mol. Its IUPAC name is 4-(difluoromethyl)-N-(2-fluoro-5-methylphenyl)-N-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-(difluoromethyl)-N-(2-fluoro-5-methylphenyl)-N-methylthiadiazole-5-carboxamide
PubChem CID135153543
Molecular FormulaC12H10F3N3OS
Molecular Weight301.29 g/mol
Exact Mass301.05
IUPAC Name4-(difluoromethyl)-N-(2-fluoro-5-methylphenyl)-N-methylthiadiazole-5-carboxamide
SMILESCc1ccc(F)c(N(C)C(=O)c2snnc2C(F)F)c1
InChIInChI=1S/C12H10F3N3OS/c1-6-3-4-7(13)8(5-6)18(2)12(19)10-9(11(14)15)16-17-20-10/h3-5,11H,1-2H3
InChIKeyCNVHUHASQUJLMM-UHFFFAOYSA-N
XLogP3.20
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(difluoromethyl)-N-(2-fluoro-5-methylphenyl)-N-methylthiadiazole-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-(2-fluoro-5-methylphenyl)-N-methylthiadiazole-5-carboxamide?
The IUPAC name of 4-(difluoromethyl)-N-(2-fluoro-5-methylphenyl)-N-methylthiadiazole-5-carboxamide (CID 135153543) is 4-(difluoromethyl)-N-(2-fluoro-5-methylphenyl)-N-methylthiadiazole-5-carboxamide.
What is the SMILES notation for 4-(difluoromethyl)-N-(2-fluoro-5-methylphenyl)-N-methylthiadiazole-5-carboxamide?
The canonical SMILES for 4-(difluoromethyl)-N-(2-fluoro-5-methylphenyl)-N-methylthiadiazole-5-carboxamide is Cc1ccc(F)c(N(C)C(=O)c2snnc2C(F)F)c1.
What is the InChIKey of 4-(difluoromethyl)-N-(2-fluoro-5-methylphenyl)-N-methylthiadiazole-5-carboxamide?
The InChIKey is CNVHUHASQUJLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3OS/c1-6-3-4-7(13)8(5-6)18(2)12(19)10-9(11(14)15)16-17-20-10/h3-5,11H,1-2H3.
What are the key properties of 4-(difluoromethyl)-N-(2-fluoro-5-methylphenyl)-N-methylthiadiazole-5-carboxamide?
4-(difluoromethyl)-N-(2-fluoro-5-methylphenyl)-N-methylthiadiazole-5-carboxamide has a molecular weight of 301.29 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-N-(2-fluoro-5-methylphenyl)-N-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 135153543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).