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

C9H8ClNOS — CID 134106377

IUPAC7-chloro-6-methoxy-2-methyl-1,3-benzothiazole
SMILESCOc1ccc2nc(C)sc2c1Cl
InChIInChI=1S/C9H8ClNOS/c1-5-11-6-3-4-7(12-2)8(10)9(6)13-5/h3-4H,1-2H3
InChIKeyDUBULXZSGVNYBI-UHFFFAOYSA-N
MW213.69 g/mol
LogP3.27
Rot. Bonds1

About 7-chloro-6-methoxy-2-methyl-1,3-benzothiazole

7-chloro-6-methoxy-2-methyl-1,3-benzothiazole (PubChem CID 134106377) has the molecular formula C9H8ClNOS and a molecular weight of 213.69 g/mol. Its IUPAC name is 7-chloro-6-methoxy-2-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name7-chloro-6-methoxy-2-methyl-1,3-benzothiazole
PubChem CID134106377
Molecular FormulaC9H8ClNOS
Molecular Weight213.69 g/mol
Exact Mass213.00
IUPAC Name7-chloro-6-methoxy-2-methyl-1,3-benzothiazole
SMILESCOc1ccc2nc(C)sc2c1Cl
InChIInChI=1S/C9H8ClNOS/c1-5-11-6-3-4-7(12-2)8(10)9(6)13-5/h3-4H,1-2H3
InChIKeyDUBULXZSGVNYBI-UHFFFAOYSA-N
XLogP3.27
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.69
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-methoxy-2-methyl-1,3-benzothiazole?
The IUPAC name of 7-chloro-6-methoxy-2-methyl-1,3-benzothiazole (CID 134106377) is 7-chloro-6-methoxy-2-methyl-1,3-benzothiazole.
What is the SMILES notation for 7-chloro-6-methoxy-2-methyl-1,3-benzothiazole?
The canonical SMILES for 7-chloro-6-methoxy-2-methyl-1,3-benzothiazole is COc1ccc2nc(C)sc2c1Cl.
What is the InChIKey of 7-chloro-6-methoxy-2-methyl-1,3-benzothiazole?
The InChIKey is DUBULXZSGVNYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNOS/c1-5-11-6-3-4-7(12-2)8(10)9(6)13-5/h3-4H,1-2H3.
What are the key properties of 7-chloro-6-methoxy-2-methyl-1,3-benzothiazole?
7-chloro-6-methoxy-2-methyl-1,3-benzothiazole has a molecular weight of 213.69 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-methoxy-2-methyl-1,3-benzothiazole is sourced from PubChem (CID 134106377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).