5-(2-aminoanilino)-N-methylthiadiazole-4-carboxamide

C10H11N5OS — CID 23252071

IUPAC5-(2-aminoanilino)-N-methylthiadiazole-4-carboxamide
SMILESCNC(=O)c1nnsc1Nc1ccccc1N
InChIInChI=1S/C10H11N5OS/c1-12-9(16)8-10(17-15-14-8)13-7-5-3-2-4-6(7)11/h2-5,13H,11H2,1H3,(H,12,16)
InChIKeyLOGYWWZXTRRTDB-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.22
Rot. Bonds3

About 5-(2-aminoanilino)-N-methylthiadiazole-4-carboxamide

5-(2-aminoanilino)-N-methylthiadiazole-4-carboxamide (PubChem CID 23252071) has the molecular formula C10H11N5OS and a molecular weight of 249.30 g/mol. Its IUPAC name is 5-(2-aminoanilino)-N-methylthiadiazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-aminoanilino)-N-methylthiadiazole-4-carboxamide
PubChem CID23252071
Molecular FormulaC10H11N5OS
Molecular Weight249.30 g/mol
Exact Mass249.07
IUPAC Name5-(2-aminoanilino)-N-methylthiadiazole-4-carboxamide
SMILESCNC(=O)c1nnsc1Nc1ccccc1N
InChIInChI=1S/C10H11N5OS/c1-12-9(16)8-10(17-15-14-8)13-7-5-3-2-4-6(7)11/h2-5,13H,11H2,1H3,(H,12,16)
InChIKeyLOGYWWZXTRRTDB-UHFFFAOYSA-N
XLogP1.22
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoanilino)-N-methylthiadiazole-4-carboxamide?
The IUPAC name of 5-(2-aminoanilino)-N-methylthiadiazole-4-carboxamide (CID 23252071) is 5-(2-aminoanilino)-N-methylthiadiazole-4-carboxamide.
What is the SMILES notation for 5-(2-aminoanilino)-N-methylthiadiazole-4-carboxamide?
The canonical SMILES for 5-(2-aminoanilino)-N-methylthiadiazole-4-carboxamide is CNC(=O)c1nnsc1Nc1ccccc1N.
What is the InChIKey of 5-(2-aminoanilino)-N-methylthiadiazole-4-carboxamide?
The InChIKey is LOGYWWZXTRRTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5OS/c1-12-9(16)8-10(17-15-14-8)13-7-5-3-2-4-6(7)11/h2-5,13H,11H2,1H3,(H,12,16).
What are the key properties of 5-(2-aminoanilino)-N-methylthiadiazole-4-carboxamide?
5-(2-aminoanilino)-N-methylthiadiazole-4-carboxamide has a molecular weight of 249.30 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoanilino)-N-methylthiadiazole-4-carboxamide is sourced from PubChem (CID 23252071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).