4-methyl-N,N-diphenylthiadiazole-5-carboxamide

C16H13N3OS — CID 7293453

IUPAC4-methyl-N,N-diphenylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H13N3OS/c1-12-15(21-18-17-12)16(20)19(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3
InChIKeyORVUSKNUQNPKJQ-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.83
Rot. Bonds3

About 4-methyl-N,N-diphenylthiadiazole-5-carboxamide

4-methyl-N,N-diphenylthiadiazole-5-carboxamide (PubChem CID 7293453) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is 4-methyl-N,N-diphenylthiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N,N-diphenylthiadiazole-5-carboxamide
PubChem CID7293453
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name4-methyl-N,N-diphenylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H13N3OS/c1-12-15(21-18-17-12)16(20)19(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3
InChIKeyORVUSKNUQNPKJQ-UHFFFAOYSA-N
XLogP3.83
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N,N-diphenylthiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N,N-diphenylthiadiazole-5-carboxamide (CID 7293453) is 4-methyl-N,N-diphenylthiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N,N-diphenylthiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N,N-diphenylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-methyl-N,N-diphenylthiadiazole-5-carboxamide?
The InChIKey is ORVUSKNUQNPKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c1-12-15(21-18-17-12)16(20)19(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3.
What are the key properties of 4-methyl-N,N-diphenylthiadiazole-5-carboxamide?
4-methyl-N,N-diphenylthiadiazole-5-carboxamide has a molecular weight of 295.37 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N,N-diphenylthiadiazole-5-carboxamide is sourced from PubChem (CID 7293453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).