4-amino-3-[(6-chloro-1,3-benzothiazol-2-yl)amino]benzamide

C14H11ClN4OS — CID 82775308

IUPAC4-amino-3-[(6-chloro-1,3-benzothiazol-2-yl)amino]benzamide
SMILESNC(=O)c1ccc(N)c(Nc2nc3ccc(Cl)cc3s2)c1
InChIInChI=1S/C14H11ClN4OS/c15-8-2-4-10-12(6-8)21-14(18-10)19-11-5-7(13(17)20)1-3-9(11)16/h1-6H,16H2,(H2,17,20)(H,18,19)
InChIKeyHJRKPHAAMRYNOQ-UHFFFAOYSA-N
MW318.79 g/mol
LogP3.37
Rot. Bonds3

About 4-amino-3-[(6-chloro-1,3-benzothiazol-2-yl)amino]benzamide

4-amino-3-[(6-chloro-1,3-benzothiazol-2-yl)amino]benzamide (PubChem CID 82775308) has the molecular formula C14H11ClN4OS and a molecular weight of 318.79 g/mol. Its IUPAC name is 4-amino-3-[(6-chloro-1,3-benzothiazol-2-yl)amino]benzamide.

Molecular Properties

Compound Name4-amino-3-[(6-chloro-1,3-benzothiazol-2-yl)amino]benzamide
PubChem CID82775308
Molecular FormulaC14H11ClN4OS
Molecular Weight318.79 g/mol
Exact Mass318.03
IUPAC Name4-amino-3-[(6-chloro-1,3-benzothiazol-2-yl)amino]benzamide
SMILESNC(=O)c1ccc(N)c(Nc2nc3ccc(Cl)cc3s2)c1
InChIInChI=1S/C14H11ClN4OS/c15-8-2-4-10-12(6-8)21-14(18-10)19-11-5-7(13(17)20)1-3-9(11)16/h1-6H,16H2,(H2,17,20)(H,18,19)
InChIKeyHJRKPHAAMRYNOQ-UHFFFAOYSA-N
XLogP3.37
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.79
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-(1,3-benzothiazol-2-ylamino)benzoic acid
CID 82784813
4-[(6-chloro-1,3-benzothiazol-2-yl)amino]-3-methylbenzoic acid
CID 63527636
6-chloro-N-(3,6-dichloropyridazin-4-yl)-1,3-benzothiazol-2-amine
CID 166929373
3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 43436936
6-chloro-N-(5-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine
CID 79527911
6-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 79528843
6-chloro-N-(4-chlorophenyl)-1,3-benzothiazol-2-amine
CID 5044430
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 739315
3,5-diamino-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 61091396
N-(2-bromo-5-chlorophenyl)-6-chloro-1,3-benzothiazol-2-amine
CID 81274899
2-acetamido-1,3-benzothiazole-6-carboxamide
CID 816956
4-amino-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]benzamide
CID 82785480

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(6-chloro-1,3-benzothiazol-2-yl)amino]benzamide?
The IUPAC name of 4-amino-3-[(6-chloro-1,3-benzothiazol-2-yl)amino]benzamide (CID 82775308) is 4-amino-3-[(6-chloro-1,3-benzothiazol-2-yl)amino]benzamide.
What is the SMILES notation for 4-amino-3-[(6-chloro-1,3-benzothiazol-2-yl)amino]benzamide?
The canonical SMILES for 4-amino-3-[(6-chloro-1,3-benzothiazol-2-yl)amino]benzamide is NC(=O)c1ccc(N)c(Nc2nc3ccc(Cl)cc3s2)c1.
What is the InChIKey of 4-amino-3-[(6-chloro-1,3-benzothiazol-2-yl)amino]benzamide?
The InChIKey is HJRKPHAAMRYNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4OS/c15-8-2-4-10-12(6-8)21-14(18-10)19-11-5-7(13(17)20)1-3-9(11)16/h1-6H,16H2,(H2,17,20)(H,18,19).
What are the key properties of 4-amino-3-[(6-chloro-1,3-benzothiazol-2-yl)amino]benzamide?
4-amino-3-[(6-chloro-1,3-benzothiazol-2-yl)amino]benzamide has a molecular weight of 318.79 g/mol, XLogP of 3.37, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(6-chloro-1,3-benzothiazol-2-yl)amino]benzamide is sourced from PubChem (CID 82775308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).