5-N-(2-chlorophenyl)-1,3-benzothiazole-4,5-diamine

C13H10ClN3S — CID 43383093

IUPAC5-N-(2-chlorophenyl)-1,3-benzothiazole-4,5-diamine
SMILESNc1c(Nc2ccccc2Cl)ccc2scnc12
InChIInChI=1S/C13H10ClN3S/c14-8-3-1-2-4-9(8)17-10-5-6-11-13(12(10)15)16-7-18-11/h1-7,17H,15H2
InChIKeyLVJBWQMONFKITF-UHFFFAOYSA-N
MW275.76 g/mol
LogP4.28
Rot. Bonds2

About 5-N-(2-chlorophenyl)-1,3-benzothiazole-4,5-diamine

5-N-(2-chlorophenyl)-1,3-benzothiazole-4,5-diamine (PubChem CID 43383093) has the molecular formula C13H10ClN3S and a molecular weight of 275.76 g/mol. Its IUPAC name is 5-N-(2-chlorophenyl)-1,3-benzothiazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(2-chlorophenyl)-1,3-benzothiazole-4,5-diamine
PubChem CID43383093
Molecular FormulaC13H10ClN3S
Molecular Weight275.76 g/mol
Exact Mass275.03
IUPAC Name5-N-(2-chlorophenyl)-1,3-benzothiazole-4,5-diamine
SMILESNc1c(Nc2ccccc2Cl)ccc2scnc12
InChIInChI=1S/C13H10ClN3S/c14-8-3-1-2-4-9(8)17-10-5-6-11-13(12(10)15)16-7-18-11/h1-7,17H,15H2
InChIKeyLVJBWQMONFKITF-UHFFFAOYSA-N
XLogP4.28
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-N-(2-chlorophenyl)-1,3-benzothiazole-4,5-diamine 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

5-N-(3-chloro-2-fluorophenyl)-1,3-benzothiazole-4,5-diamine
CID 43451381
5-N-(2,4,5-trichlorophenyl)-1,3-benzothiazole-4,5-diamine
CID 43451317
5-N-(2,5-dichloro-4-methylphenyl)-1,3-benzothiazole-4,5-diamine
CID 104725890
5-chloro-1,3-benzothiazol-4-amine
CID 21486281
5-N-(2-bromo-5-methylphenyl)-1,3-benzothiazole-4,5-diamine
CID 82761384
5-N-(4-ethoxyphenyl)-1,3-benzothiazole-4,5-diamine
CID 43451301
5-N-(3-ethylphenyl)-1,3-benzothiazole-4,5-diamine
CID 43451362
2-[(4-amino-1,3-benzothiazol-5-yl)amino]propane-1,3-diol
CID 65315305
5-N-(2,2,3,3-tetramethylcyclopropyl)-1,3-benzothiazole-4,5-diamine
CID 79352825
4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,5,6-triamine
CID 19147893
5-N-(2-methylsulfanylethyl)-1,3-benzothiazole-4,5-diamine
CID 63983982
5-N-[(4-ethylcyclohexyl)methyl]-1,3-benzothiazole-4,5-diamine
CID 63406027

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-chlorophenyl)-1,3-benzothiazole-4,5-diamine?
The IUPAC name of 5-N-(2-chlorophenyl)-1,3-benzothiazole-4,5-diamine (CID 43383093) is 5-N-(2-chlorophenyl)-1,3-benzothiazole-4,5-diamine.
What is the SMILES notation for 5-N-(2-chlorophenyl)-1,3-benzothiazole-4,5-diamine?
The canonical SMILES for 5-N-(2-chlorophenyl)-1,3-benzothiazole-4,5-diamine is Nc1c(Nc2ccccc2Cl)ccc2scnc12.
What is the InChIKey of 5-N-(2-chlorophenyl)-1,3-benzothiazole-4,5-diamine?
The InChIKey is LVJBWQMONFKITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3S/c14-8-3-1-2-4-9(8)17-10-5-6-11-13(12(10)15)16-7-18-11/h1-7,17H,15H2.
What are the key properties of 5-N-(2-chlorophenyl)-1,3-benzothiazole-4,5-diamine?
5-N-(2-chlorophenyl)-1,3-benzothiazole-4,5-diamine has a molecular weight of 275.76 g/mol, XLogP of 4.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-chlorophenyl)-1,3-benzothiazole-4,5-diamine is sourced from PubChem (CID 43383093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).