5-chloro-N-(5-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine

C14H10Cl2N2S — CID 43307023

IUPAC5-chloro-N-(5-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine
SMILESCc1ccc(Cl)cc1Nc1nc2cc(Cl)ccc2s1
InChIInChI=1S/C14H10Cl2N2S/c1-8-2-3-9(15)6-11(8)17-14-18-12-7-10(16)4-5-13(12)19-14/h2-7H,1H3,(H,17,18)
InChIKeyJVZZSDDVUHZXFP-UHFFFAOYSA-N
MW309.22 g/mol
LogP5.66
Rot. Bonds2

About 5-chloro-N-(5-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine

5-chloro-N-(5-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine (PubChem CID 43307023) has the molecular formula C14H10Cl2N2S and a molecular weight of 309.22 g/mol. Its IUPAC name is 5-chloro-N-(5-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-chloro-N-(5-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine
PubChem CID43307023
Molecular FormulaC14H10Cl2N2S
Molecular Weight309.22 g/mol
Exact Mass307.99
IUPAC Name5-chloro-N-(5-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine
SMILESCc1ccc(Cl)cc1Nc1nc2cc(Cl)ccc2s1
InChIInChI=1S/C14H10Cl2N2S/c1-8-2-3-9(15)6-11(8)17-14-18-12-7-10(16)4-5-13(12)19-14/h2-7H,1H3,(H,17,18)
InChIKeyJVZZSDDVUHZXFP-UHFFFAOYSA-N
XLogP5.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.22
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-(5-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine 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-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 43306502
5-chloro-N-(2,6-dichloro-3-methylphenyl)-1,3-benzothiazol-2-amine
CID 63546234
N-(5-bromo-2-methylphenyl)-6-chloro-1,3-benzothiazol-2-amine
CID 53414874
1-N-(5-chloro-1,3-benzothiazol-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106760291
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
N-(2,5-difluoro-4-methylphenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 103586604
5-chloro-2-methyl-1,3-benzothiazole;methane
CID 163804732
5-fluoro-N-(4-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 43306938
N-(2-bromo-5-chlorophenyl)-6-chloro-1,3-benzothiazol-2-amine
CID 81274899
5-methyl-N-(2,3,4-trifluorophenyl)-1,3-benzothiazol-2-amine
CID 43306651
6-chloro-N-(2-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine
CID 79528338

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 5-chloro-N-(5-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine (CID 43307023) is 5-chloro-N-(5-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-chloro-N-(5-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-chloro-N-(5-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine is Cc1ccc(Cl)cc1Nc1nc2cc(Cl)ccc2s1.
What is the InChIKey of 5-chloro-N-(5-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine?
The InChIKey is JVZZSDDVUHZXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2S/c1-8-2-3-9(15)6-11(8)17-14-18-12-7-10(16)4-5-13(12)19-14/h2-7H,1H3,(H,17,18).
What are the key properties of 5-chloro-N-(5-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine?
5-chloro-N-(5-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine has a molecular weight of 309.22 g/mol, XLogP of 5.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 43307023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).