2-chloro-6-methyl-1,3-benzothiazole

C8H6ClNS — CID 2049866

IUPAC2-chloro-6-methyl-1,3-benzothiazole
SMILESCc1ccc2nc(Cl)sc2c1
InChIInChI=1S/C8H6ClNS/c1-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3
InChIKeyPAKSGYIFUVNJQF-UHFFFAOYSA-N
MW183.66 g/mol
LogP3.26
Rot. Bonds

About 2-chloro-6-methyl-1,3-benzothiazole

2-chloro-6-methyl-1,3-benzothiazole (PubChem CID 2049866) has the molecular formula C8H6ClNS and a molecular weight of 183.66 g/mol. Its IUPAC name is 2-chloro-6-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name2-chloro-6-methyl-1,3-benzothiazole
PubChem CID2049866
Molecular FormulaC8H6ClNS
Molecular Weight183.66 g/mol
Exact Mass182.99
IUPAC Name2-chloro-6-methyl-1,3-benzothiazole
SMILESCc1ccc2nc(Cl)sc2c1
InChIInChI=1S/C8H6ClNS/c1-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3
InChIKeyPAKSGYIFUVNJQF-UHFFFAOYSA-N
XLogP3.26
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.66
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-1,3-benzothiazole-6-thiol
CID 70528967
2-fluoro-6-methyl-1,3-benzothiazole
CID 23270279
2-iodo-6-methyl-1,3-benzothiazole
CID 90078540
2-ethyl-6-methyl-1,3-benzothiazole
CID 22899424
N-(2-chloro-5-methylphenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 107637469
6-chloro-2-(2-fluoro-5-methylphenyl)-1,3-benzothiazole
CID 102236319
acetic acid;2-chloro-1,3-benzothiazol-6-ol
CID 70388805
2-(2,6-difluorophenyl)-6-methyl-1,3-benzothiazole
CID 102236318
(6-methyl-1,3-benzothiazol-2-yl)methanethiol
CID 137419548
N-[1-(4-chlorophenyl)ethyl]-6-methyl-1,3-benzothiazol-2-amine
CID 79142758
6-methyl-N-(2,4,5-trichlorophenyl)-1,3-benzothiazol-2-amine
CID 78908955
6-methyl-2-phenoxy-1,3-benzothiazole
CID 44549864

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-1,3-benzothiazole?
The IUPAC name of 2-chloro-6-methyl-1,3-benzothiazole (CID 2049866) is 2-chloro-6-methyl-1,3-benzothiazole.
What is the SMILES notation for 2-chloro-6-methyl-1,3-benzothiazole?
The canonical SMILES for 2-chloro-6-methyl-1,3-benzothiazole is Cc1ccc2nc(Cl)sc2c1.
What is the InChIKey of 2-chloro-6-methyl-1,3-benzothiazole?
The InChIKey is PAKSGYIFUVNJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNS/c1-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3.
What are the key properties of 2-chloro-6-methyl-1,3-benzothiazole?
2-chloro-6-methyl-1,3-benzothiazole has a molecular weight of 183.66 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-1,3-benzothiazole is sourced from PubChem (CID 2049866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).