5-(4-aminoanilino)thiadiazole-4-carboxamide

C9H9N5OS — CID 1499191

IUPAC5-(4-aminoanilino)thiadiazole-4-carboxamide
SMILESNC(=O)c1nnsc1Nc1ccc(N)cc1
InChIInChI=1S/C9H9N5OS/c10-5-1-3-6(4-2-5)12-9-7(8(11)15)13-14-16-9/h1-4,12H,10H2,(H2,11,15)
InChIKeyUFTDAVLGXBUARY-UHFFFAOYSA-N
MW235.27 g/mol
LogP0.96
Rot. Bonds3

About 5-(4-aminoanilino)thiadiazole-4-carboxamide

5-(4-aminoanilino)thiadiazole-4-carboxamide (PubChem CID 1499191) has the molecular formula C9H9N5OS and a molecular weight of 235.27 g/mol. Its IUPAC name is 5-(4-aminoanilino)thiadiazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-aminoanilino)thiadiazole-4-carboxamide
PubChem CID1499191
Molecular FormulaC9H9N5OS
Molecular Weight235.27 g/mol
Exact Mass235.05
IUPAC Name5-(4-aminoanilino)thiadiazole-4-carboxamide
SMILESNC(=O)c1nnsc1Nc1ccc(N)cc1
InChIInChI=1S/C9H9N5OS/c10-5-1-3-6(4-2-5)12-9-7(8(11)15)13-14-16-9/h1-4,12H,10H2,(H2,11,15)
InChIKeyUFTDAVLGXBUARY-UHFFFAOYSA-N
XLogP0.96
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-aminoanilino)thiadiazole-4-carboxamide?
The IUPAC name of 5-(4-aminoanilino)thiadiazole-4-carboxamide (CID 1499191) is 5-(4-aminoanilino)thiadiazole-4-carboxamide.
What is the SMILES notation for 5-(4-aminoanilino)thiadiazole-4-carboxamide?
The canonical SMILES for 5-(4-aminoanilino)thiadiazole-4-carboxamide is NC(=O)c1nnsc1Nc1ccc(N)cc1.
What is the InChIKey of 5-(4-aminoanilino)thiadiazole-4-carboxamide?
The InChIKey is UFTDAVLGXBUARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5OS/c10-5-1-3-6(4-2-5)12-9-7(8(11)15)13-14-16-9/h1-4,12H,10H2,(H2,11,15).
What are the key properties of 5-(4-aminoanilino)thiadiazole-4-carboxamide?
5-(4-aminoanilino)thiadiazole-4-carboxamide has a molecular weight of 235.27 g/mol, XLogP of 0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminoanilino)thiadiazole-4-carboxamide is sourced from PubChem (CID 1499191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).