2-amino-5-(1,3-benzothiazol-6-ylamino)benzamide

C14H12N4OS — CID 107800531

IUPAC2-amino-5-(1,3-benzothiazol-6-ylamino)benzamide
SMILESNC(=O)c1cc(Nc2ccc3ncsc3c2)ccc1N
InChIInChI=1S/C14H12N4OS/c15-11-3-1-8(5-10(11)14(16)19)18-9-2-4-12-13(6-9)20-7-17-12/h1-7,18H,15H2,(H2,16,19)
InChIKeyQOKXBFBCIKQFCB-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.72
Rot. Bonds3

About 2-amino-5-(1,3-benzothiazol-6-ylamino)benzamide

2-amino-5-(1,3-benzothiazol-6-ylamino)benzamide (PubChem CID 107800531) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-amino-5-(1,3-benzothiazol-6-ylamino)benzamide.

Molecular Properties

Compound Name2-amino-5-(1,3-benzothiazol-6-ylamino)benzamide
PubChem CID107800531
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name2-amino-5-(1,3-benzothiazol-6-ylamino)benzamide
SMILESNC(=O)c1cc(Nc2ccc3ncsc3c2)ccc1N
InChIInChI=1S/C14H12N4OS/c15-11-3-1-8(5-10(11)14(16)19)18-9-2-4-12-13(6-9)20-7-17-12/h1-7,18H,15H2,(H2,16,19)
InChIKeyQOKXBFBCIKQFCB-UHFFFAOYSA-N
XLogP2.72
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-5-(1,3-benzothiazol-6-ylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1,3-benzothiazol-6-ylamino)benzenecarbothioamide
CID 107806262
N-(4-nitrophenyl)-1,3-benzothiazol-6-amine
CID 112840853
2-N-(1,3-benzothiazol-6-yl)-6-methylpyridine-2,5-diamine
CID 107802793
2-amino-5-(4-bromoanilino)benzamide
CID 61306724
2-N-(1,3-benzothiazol-6-yl)-4-fluorobenzene-1,2-diamine
CID 107802777
1-N-(1,3-benzothiazol-6-yl)benzene-1,2,4-triamine
CID 12685915
5-N-(1,3-benzothiazol-6-yl)pyridine-3,5-diamine
CID 107801971
2-(1,3-benzothiazol-6-ylamino)-4-bromobenzenecarbothioamide
CID 107806302
4-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxybenzamide
CID 107802439
methyl 5-amino-2-(1,3-benzothiazol-6-ylamino)benzoate
CID 107800530
2-N-(1,3-benzothiazol-6-yl)-4,5-dichlorobenzene-1,2-diamine
CID 107802808
2-(1,3-benzothiazol-6-ylamino)-1,3-thiazole-4-carboxylic acid
CID 107806763

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(1,3-benzothiazol-6-ylamino)benzamide?
The IUPAC name of 2-amino-5-(1,3-benzothiazol-6-ylamino)benzamide (CID 107800531) is 2-amino-5-(1,3-benzothiazol-6-ylamino)benzamide.
What is the SMILES notation for 2-amino-5-(1,3-benzothiazol-6-ylamino)benzamide?
The canonical SMILES for 2-amino-5-(1,3-benzothiazol-6-ylamino)benzamide is NC(=O)c1cc(Nc2ccc3ncsc3c2)ccc1N.
What is the InChIKey of 2-amino-5-(1,3-benzothiazol-6-ylamino)benzamide?
The InChIKey is QOKXBFBCIKQFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c15-11-3-1-8(5-10(11)14(16)19)18-9-2-4-12-13(6-9)20-7-17-12/h1-7,18H,15H2,(H2,16,19).
What are the key properties of 2-amino-5-(1,3-benzothiazol-6-ylamino)benzamide?
2-amino-5-(1,3-benzothiazol-6-ylamino)benzamide has a molecular weight of 284.34 g/mol, XLogP of 2.72, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(1,3-benzothiazol-6-ylamino)benzamide is sourced from PubChem (CID 107800531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).