5-chloro-N-(2,6-dichloro-3-methylphenyl)-1,3-benzothiazol-2-amine

C14H9Cl3N2S — CID 63546234

IUPAC5-chloro-N-(2,6-dichloro-3-methylphenyl)-1,3-benzothiazol-2-amine
SMILESCc1ccc(Cl)c(Nc2nc3cc(Cl)ccc3s2)c1Cl
InChIInChI=1S/C14H9Cl3N2S/c1-7-2-4-9(16)13(12(7)17)19-14-18-10-6-8(15)3-5-11(10)20-14/h2-6H,1H3,(H,18,19)
InChIKeyWHIZSFIAUDLBDJ-UHFFFAOYSA-N
MW343.67 g/mol
LogP6.31
Rot. Bonds2

About 5-chloro-N-(2,6-dichloro-3-methylphenyl)-1,3-benzothiazol-2-amine

5-chloro-N-(2,6-dichloro-3-methylphenyl)-1,3-benzothiazol-2-amine (PubChem CID 63546234) has the molecular formula C14H9Cl3N2S and a molecular weight of 343.67 g/mol. Its IUPAC name is 5-chloro-N-(2,6-dichloro-3-methylphenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-chloro-N-(2,6-dichloro-3-methylphenyl)-1,3-benzothiazol-2-amine
PubChem CID63546234
Molecular FormulaC14H9Cl3N2S
Molecular Weight343.67 g/mol
Exact Mass341.96
IUPAC Name5-chloro-N-(2,6-dichloro-3-methylphenyl)-1,3-benzothiazol-2-amine
SMILESCc1ccc(Cl)c(Nc2nc3cc(Cl)ccc3s2)c1Cl
InChIInChI=1S/C14H9Cl3N2S/c1-7-2-4-9(16)13(12(7)17)19-14-18-10-6-8(15)3-5-11(10)20-14/h2-6H,1H3,(H,18,19)
InChIKeyWHIZSFIAUDLBDJ-UHFFFAOYSA-N
XLogP6.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.67
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-(2,6-dichloro-3-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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,6-dichloro-3-methylphenyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 5-chloro-N-(2,6-dichloro-3-methylphenyl)-1,3-benzothiazol-2-amine (CID 63546234) is 5-chloro-N-(2,6-dichloro-3-methylphenyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-chloro-N-(2,6-dichloro-3-methylphenyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-chloro-N-(2,6-dichloro-3-methylphenyl)-1,3-benzothiazol-2-amine is Cc1ccc(Cl)c(Nc2nc3cc(Cl)ccc3s2)c1Cl.
What is the InChIKey of 5-chloro-N-(2,6-dichloro-3-methylphenyl)-1,3-benzothiazol-2-amine?
The InChIKey is WHIZSFIAUDLBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3N2S/c1-7-2-4-9(16)13(12(7)17)19-14-18-10-6-8(15)3-5-11(10)20-14/h2-6H,1H3,(H,18,19).
What are the key properties of 5-chloro-N-(2,6-dichloro-3-methylphenyl)-1,3-benzothiazol-2-amine?
5-chloro-N-(2,6-dichloro-3-methylphenyl)-1,3-benzothiazol-2-amine has a molecular weight of 343.67 g/mol, XLogP of 6.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,6-dichloro-3-methylphenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 63546234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).