4-(difluoromethyl)-N-methyl-N-(2-methylphenyl)thiadiazole-5-carboxamide

C12H11F2N3OS — CID 135154176

IUPAC4-(difluoromethyl)-N-methyl-N-(2-methylphenyl)thiadiazole-5-carboxamide
SMILESCc1ccccc1N(C)C(=O)c1snnc1C(F)F
InChIInChI=1S/C12H11F2N3OS/c1-7-5-3-4-6-8(7)17(2)12(18)10-9(11(13)14)15-16-19-10/h3-6,11H,1-2H3
InChIKeyAFEXEDVSCYERNF-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.06
Rot. Bonds3

About 4-(difluoromethyl)-N-methyl-N-(2-methylphenyl)thiadiazole-5-carboxamide

4-(difluoromethyl)-N-methyl-N-(2-methylphenyl)thiadiazole-5-carboxamide (PubChem CID 135154176) has the molecular formula C12H11F2N3OS and a molecular weight of 283.30 g/mol. Its IUPAC name is 4-(difluoromethyl)-N-methyl-N-(2-methylphenyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-(difluoromethyl)-N-methyl-N-(2-methylphenyl)thiadiazole-5-carboxamide
PubChem CID135154176
Molecular FormulaC12H11F2N3OS
Molecular Weight283.30 g/mol
Exact Mass283.06
IUPAC Name4-(difluoromethyl)-N-methyl-N-(2-methylphenyl)thiadiazole-5-carboxamide
SMILESCc1ccccc1N(C)C(=O)c1snnc1C(F)F
InChIInChI=1S/C12H11F2N3OS/c1-7-5-3-4-6-8(7)17(2)12(18)10-9(11(13)14)15-16-19-10/h3-6,11H,1-2H3
InChIKeyAFEXEDVSCYERNF-UHFFFAOYSA-N
XLogP3.06
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-N-methyl-N-(2-methylphenyl)thiadiazole-5-carboxamide?
The IUPAC name of 4-(difluoromethyl)-N-methyl-N-(2-methylphenyl)thiadiazole-5-carboxamide (CID 135154176) is 4-(difluoromethyl)-N-methyl-N-(2-methylphenyl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-(difluoromethyl)-N-methyl-N-(2-methylphenyl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-(difluoromethyl)-N-methyl-N-(2-methylphenyl)thiadiazole-5-carboxamide is Cc1ccccc1N(C)C(=O)c1snnc1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-N-methyl-N-(2-methylphenyl)thiadiazole-5-carboxamide?
The InChIKey is AFEXEDVSCYERNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3OS/c1-7-5-3-4-6-8(7)17(2)12(18)10-9(11(13)14)15-16-19-10/h3-6,11H,1-2H3.
What are the key properties of 4-(difluoromethyl)-N-methyl-N-(2-methylphenyl)thiadiazole-5-carboxamide?
4-(difluoromethyl)-N-methyl-N-(2-methylphenyl)thiadiazole-5-carboxamide has a molecular weight of 283.30 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-N-methyl-N-(2-methylphenyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 135154176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).