4-(difluoromethyl)-N-(3,5-dimethylphenyl)-N-methylthiadiazole-5-carboxamide

C13H13F2N3OS — CID 135153518

IUPAC4-(difluoromethyl)-N-(3,5-dimethylphenyl)-N-methylthiadiazole-5-carboxamide
SMILESCc1cc(C)cc(N(C)C(=O)c2snnc2C(F)F)c1
InChIInChI=1S/C13H13F2N3OS/c1-7-4-8(2)6-9(5-7)18(3)13(19)11-10(12(14)15)16-17-20-11/h4-6,12H,1-3H3
InChIKeyZFUHSGFZLHZORU-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.37
Rot. Bonds3

About 4-(difluoromethyl)-N-(3,5-dimethylphenyl)-N-methylthiadiazole-5-carboxamide

4-(difluoromethyl)-N-(3,5-dimethylphenyl)-N-methylthiadiazole-5-carboxamide (PubChem CID 135153518) has the molecular formula C13H13F2N3OS and a molecular weight of 297.33 g/mol. Its IUPAC name is 4-(difluoromethyl)-N-(3,5-dimethylphenyl)-N-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-(difluoromethyl)-N-(3,5-dimethylphenyl)-N-methylthiadiazole-5-carboxamide
PubChem CID135153518
Molecular FormulaC13H13F2N3OS
Molecular Weight297.33 g/mol
Exact Mass297.07
IUPAC Name4-(difluoromethyl)-N-(3,5-dimethylphenyl)-N-methylthiadiazole-5-carboxamide
SMILESCc1cc(C)cc(N(C)C(=O)c2snnc2C(F)F)c1
InChIInChI=1S/C13H13F2N3OS/c1-7-4-8(2)6-9(5-7)18(3)13(19)11-10(12(14)15)16-17-20-11/h4-6,12H,1-3H3
InChIKeyZFUHSGFZLHZORU-UHFFFAOYSA-N
XLogP3.37
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-N-(3,5-dimethylphenyl)-N-methylthiadiazole-5-carboxamide?
The IUPAC name of 4-(difluoromethyl)-N-(3,5-dimethylphenyl)-N-methylthiadiazole-5-carboxamide (CID 135153518) is 4-(difluoromethyl)-N-(3,5-dimethylphenyl)-N-methylthiadiazole-5-carboxamide.
What is the SMILES notation for 4-(difluoromethyl)-N-(3,5-dimethylphenyl)-N-methylthiadiazole-5-carboxamide?
The canonical SMILES for 4-(difluoromethyl)-N-(3,5-dimethylphenyl)-N-methylthiadiazole-5-carboxamide is Cc1cc(C)cc(N(C)C(=O)c2snnc2C(F)F)c1.
What is the InChIKey of 4-(difluoromethyl)-N-(3,5-dimethylphenyl)-N-methylthiadiazole-5-carboxamide?
The InChIKey is ZFUHSGFZLHZORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3OS/c1-7-4-8(2)6-9(5-7)18(3)13(19)11-10(12(14)15)16-17-20-11/h4-6,12H,1-3H3.
What are the key properties of 4-(difluoromethyl)-N-(3,5-dimethylphenyl)-N-methylthiadiazole-5-carboxamide?
4-(difluoromethyl)-N-(3,5-dimethylphenyl)-N-methylthiadiazole-5-carboxamide has a molecular weight of 297.33 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-N-(3,5-dimethylphenyl)-N-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 135153518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).