6-chloro-2-(2-methoxy-6-methylphenyl)-1,3-benzothiazole

C15H12ClNOS — CID 134862335

IUPAC6-chloro-2-(2-methoxy-6-methylphenyl)-1,3-benzothiazole
SMILESCOc1cccc(C)c1-c1nc2ccc(Cl)cc2s1
InChIInChI=1S/C15H12ClNOS/c1-9-4-3-5-12(18-2)14(9)15-17-11-7-6-10(16)8-13(11)19-15/h3-8H,1-2H3
InChIKeyXJTLXMXLNZZNHI-UHFFFAOYSA-N
MW289.79 g/mol
LogP4.93
Rot. Bonds2

About 6-chloro-2-(2-methoxy-6-methylphenyl)-1,3-benzothiazole

6-chloro-2-(2-methoxy-6-methylphenyl)-1,3-benzothiazole (PubChem CID 134862335) has the molecular formula C15H12ClNOS and a molecular weight of 289.79 g/mol. Its IUPAC name is 6-chloro-2-(2-methoxy-6-methylphenyl)-1,3-benzothiazole.

Molecular Properties

Compound Name6-chloro-2-(2-methoxy-6-methylphenyl)-1,3-benzothiazole
PubChem CID134862335
Molecular FormulaC15H12ClNOS
Molecular Weight289.79 g/mol
Exact Mass289.03
IUPAC Name6-chloro-2-(2-methoxy-6-methylphenyl)-1,3-benzothiazole
SMILESCOc1cccc(C)c1-c1nc2ccc(Cl)cc2s1
InChIInChI=1S/C15H12ClNOS/c1-9-4-3-5-12(18-2)14(9)15-17-11-7-6-10(16)8-13(11)19-15/h3-8H,1-2H3
InChIKeyXJTLXMXLNZZNHI-UHFFFAOYSA-N
XLogP4.93
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(6-chloro-1,3-benzothiazol-2-yl)-2-methoxyaniline
CID 79527850
2-(2-fluoro-6-methoxyphenyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470295
4-(6-chloro-1,3-benzothiazol-2-yl)-2-methylaniline
CID 45361803
2-(2-bromo-6-methoxyphenyl)-1,3-benzothiazole
CID 132514015
2-(2-chloro-6-fluorophenyl)-6-fluoro-1,3-benzothiazole
CID 102236316
N-[(6-chloro-1,3-benzothiazol-2-yl)methyl]-5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-amine
CID 68562270
2-(4-chloro-2-methoxyphenyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470129
3-fluoro-2-(6-methoxy-1,3-benzothiazol-2-yl)phenol
CID 136789802
2-(2,6-difluorophenyl)-6-methyl-1,3-benzothiazole
CID 102236318
2-(3-bromophenyl)-6-chloro-1,3-benzothiazole
CID 95910629
6-chloro-2-(2-fluoro-5-methylphenyl)-1,3-benzothiazole
CID 102236319
3-(6-chloro-1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 79525122

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-methoxy-6-methylphenyl)-1,3-benzothiazole?
The IUPAC name of 6-chloro-2-(2-methoxy-6-methylphenyl)-1,3-benzothiazole (CID 134862335) is 6-chloro-2-(2-methoxy-6-methylphenyl)-1,3-benzothiazole.
What is the SMILES notation for 6-chloro-2-(2-methoxy-6-methylphenyl)-1,3-benzothiazole?
The canonical SMILES for 6-chloro-2-(2-methoxy-6-methylphenyl)-1,3-benzothiazole is COc1cccc(C)c1-c1nc2ccc(Cl)cc2s1.
What is the InChIKey of 6-chloro-2-(2-methoxy-6-methylphenyl)-1,3-benzothiazole?
The InChIKey is XJTLXMXLNZZNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNOS/c1-9-4-3-5-12(18-2)14(9)15-17-11-7-6-10(16)8-13(11)19-15/h3-8H,1-2H3.
What are the key properties of 6-chloro-2-(2-methoxy-6-methylphenyl)-1,3-benzothiazole?
6-chloro-2-(2-methoxy-6-methylphenyl)-1,3-benzothiazole has a molecular weight of 289.79 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-methoxy-6-methylphenyl)-1,3-benzothiazole is sourced from PubChem (CID 134862335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).