4-methyl-N-phenylthiadiazole-5-carboxamide

C10H9N3OS — CID 728526

IUPAC4-methyl-N-phenylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccccc1
InChIInChI=1S/C10H9N3OS/c1-7-9(15-13-12-7)10(14)11-8-5-3-2-4-6-8/h2-6H,1H3,(H,11,14)
InChIKeyIYKDYRRWHMXJLW-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.10
Rot. Bonds2

About 4-methyl-N-phenylthiadiazole-5-carboxamide

4-methyl-N-phenylthiadiazole-5-carboxamide (PubChem CID 728526) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is 4-methyl-N-phenylthiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-phenylthiadiazole-5-carboxamide
PubChem CID728526
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC Name4-methyl-N-phenylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccccc1
InChIInChI=1S/C10H9N3OS/c1-7-9(15-13-12-7)10(14)11-8-5-3-2-4-6-8/h2-6H,1H3,(H,11,14)
InChIKeyIYKDYRRWHMXJLW-UHFFFAOYSA-N
XLogP2.10
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-phenylthiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-phenylthiadiazole-5-carboxamide (CID 728526) is 4-methyl-N-phenylthiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-phenylthiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-phenylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1ccccc1.
What is the InChIKey of 4-methyl-N-phenylthiadiazole-5-carboxamide?
The InChIKey is IYKDYRRWHMXJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS/c1-7-9(15-13-12-7)10(14)11-8-5-3-2-4-6-8/h2-6H,1H3,(H,11,14).
What are the key properties of 4-methyl-N-phenylthiadiazole-5-carboxamide?
4-methyl-N-phenylthiadiazole-5-carboxamide has a molecular weight of 219.27 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-phenylthiadiazole-5-carboxamide is sourced from PubChem (CID 728526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).