6-methyl-N-(2,4,5-trichlorophenyl)-1,3-benzothiazol-2-amine

C14H9Cl3N2S — CID 78908955

IUPAC6-methyl-N-(2,4,5-trichlorophenyl)-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(Nc3cc(Cl)c(Cl)cc3Cl)sc2c1
InChIInChI=1S/C14H9Cl3N2S/c1-7-2-3-11-13(4-7)20-14(18-11)19-12-6-9(16)8(15)5-10(12)17/h2-6H,1H3,(H,18,19)
InChIKeyCDLQTIIPWXIRLZ-UHFFFAOYSA-N
MW343.67 g/mol
LogP6.31
Rot. Bonds2

About 6-methyl-N-(2,4,5-trichlorophenyl)-1,3-benzothiazol-2-amine

6-methyl-N-(2,4,5-trichlorophenyl)-1,3-benzothiazol-2-amine (PubChem CID 78908955) has the molecular formula C14H9Cl3N2S and a molecular weight of 343.67 g/mol. Its IUPAC name is 6-methyl-N-(2,4,5-trichlorophenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-methyl-N-(2,4,5-trichlorophenyl)-1,3-benzothiazol-2-amine
PubChem CID78908955
Molecular FormulaC14H9Cl3N2S
Molecular Weight343.67 g/mol
Exact Mass341.96
IUPAC Name6-methyl-N-(2,4,5-trichlorophenyl)-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(Nc3cc(Cl)c(Cl)cc3Cl)sc2c1
InChIInChI=1S/C14H9Cl3N2S/c1-7-2-3-11-13(4-7)20-14(18-11)19-12-6-9(16)8(15)5-10(12)17/h2-6H,1H3,(H,18,19)
InChIKeyCDLQTIIPWXIRLZ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 6-methyl-N-(2,4,5-trichlorophenyl)-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

N-(2-chloro-5-methylphenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 107637469
N-(4-bromo-2,3-dichlorophenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 107791695
6-chloro-N-(2-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine
CID 79528338
6-methyl-N-(4-methylphenyl)-1,3-benzothiazol-2-amine
CID 12955114
2-chloro-6-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzenecarbothioamide
CID 62501593
6-methyl-N-(2,4,6-trimethylphenyl)-1,3-benzothiazol-2-amine
CID 79142410
4-chloro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzonitrile
CID 63516010
5-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzonitrile
CID 107926862
N-(6-chloro-2-pyridinyl)-6-methyl-1,3-benzothiazol-2-amine
CID 87379371
N-(2,5-dibromophenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79142921
6-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 79528843
5-bromo-N-(2,4,5-trichlorophenyl)-1,3-benzothiazol-2-amine
CID 63546956

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2,4,5-trichlorophenyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-methyl-N-(2,4,5-trichlorophenyl)-1,3-benzothiazol-2-amine (CID 78908955) is 6-methyl-N-(2,4,5-trichlorophenyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-methyl-N-(2,4,5-trichlorophenyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-methyl-N-(2,4,5-trichlorophenyl)-1,3-benzothiazol-2-amine is Cc1ccc2nc(Nc3cc(Cl)c(Cl)cc3Cl)sc2c1.
What is the InChIKey of 6-methyl-N-(2,4,5-trichlorophenyl)-1,3-benzothiazol-2-amine?
The InChIKey is CDLQTIIPWXIRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3N2S/c1-7-2-3-11-13(4-7)20-14(18-11)19-12-6-9(16)8(15)5-10(12)17/h2-6H,1H3,(H,18,19).
What are the key properties of 6-methyl-N-(2,4,5-trichlorophenyl)-1,3-benzothiazol-2-amine?
6-methyl-N-(2,4,5-trichlorophenyl)-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 6-methyl-N-(2,4,5-trichlorophenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 78908955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).