2-[(4-aminobenzoyl)amino]-1,3-benzothiazole-6-carboxamide

C15H12N4O2S — CID 712274

IUPAC2-[(4-aminobenzoyl)amino]-1,3-benzothiazole-6-carboxamide
SMILESNC(=O)c1ccc2nc(NC(=O)c3ccc(N)cc3)sc2c1
InChIInChI=1S/C15H12N4O2S/c16-10-4-1-8(2-5-10)14(21)19-15-18-11-6-3-9(13(17)20)7-12(11)22-15/h1-7H,16H2,(H2,17,20)(H,18,19,21)
InChIKeyGTBLZCPRMBVCGY-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.23
Rot. Bonds3

About 2-[(4-aminobenzoyl)amino]-1,3-benzothiazole-6-carboxamide

2-[(4-aminobenzoyl)amino]-1,3-benzothiazole-6-carboxamide (PubChem CID 712274) has the molecular formula C15H12N4O2S and a molecular weight of 312.35 g/mol. Its IUPAC name is 2-[(4-aminobenzoyl)amino]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-[(4-aminobenzoyl)amino]-1,3-benzothiazole-6-carboxamide
PubChem CID712274
Molecular FormulaC15H12N4O2S
Molecular Weight312.35 g/mol
Exact Mass312.07
IUPAC Name2-[(4-aminobenzoyl)amino]-1,3-benzothiazole-6-carboxamide
SMILESNC(=O)c1ccc2nc(NC(=O)c3ccc(N)cc3)sc2c1
InChIInChI=1S/C15H12N4O2S/c16-10-4-1-8(2-5-10)14(21)19-15-18-11-6-3-9(13(17)20)7-12(11)22-15/h1-7H,16H2,(H2,17,20)(H,18,19,21)
InChIKeyGTBLZCPRMBVCGY-UHFFFAOYSA-N
XLogP2.23
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminobenzoyl)amino]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-[(4-aminobenzoyl)amino]-1,3-benzothiazole-6-carboxamide (CID 712274) is 2-[(4-aminobenzoyl)amino]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-[(4-aminobenzoyl)amino]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-[(4-aminobenzoyl)amino]-1,3-benzothiazole-6-carboxamide is NC(=O)c1ccc2nc(NC(=O)c3ccc(N)cc3)sc2c1.
What is the InChIKey of 2-[(4-aminobenzoyl)amino]-1,3-benzothiazole-6-carboxamide?
The InChIKey is GTBLZCPRMBVCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2S/c16-10-4-1-8(2-5-10)14(21)19-15-18-11-6-3-9(13(17)20)7-12(11)22-15/h1-7H,16H2,(H2,17,20)(H,18,19,21).
What are the key properties of 2-[(4-aminobenzoyl)amino]-1,3-benzothiazole-6-carboxamide?
2-[(4-aminobenzoyl)amino]-1,3-benzothiazole-6-carboxamide has a molecular weight of 312.35 g/mol, XLogP of 2.23, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminobenzoyl)amino]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 712274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).