3-(2-chlorophenyl)-5,6-dimethoxy-1,2-benzothiazole

C15H12ClNO2S — CID 13270204

IUPAC3-(2-chlorophenyl)-5,6-dimethoxy-1,2-benzothiazole
SMILESCOc1cc2snc(-c3ccccc3Cl)c2cc1OC
InChIInChI=1S/C15H12ClNO2S/c1-18-12-7-10-14(8-13(12)19-2)20-17-15(10)9-5-3-4-6-11(9)16/h3-8H,1-2H3
InChIKeyYIUFGFAOACRNHN-UHFFFAOYSA-N
MW305.79 g/mol
LogP4.63
Rot. Bonds3

About 3-(2-chlorophenyl)-5,6-dimethoxy-1,2-benzothiazole

3-(2-chlorophenyl)-5,6-dimethoxy-1,2-benzothiazole (PubChem CID 13270204) has the molecular formula C15H12ClNO2S and a molecular weight of 305.79 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5,6-dimethoxy-1,2-benzothiazole.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5,6-dimethoxy-1,2-benzothiazole
PubChem CID13270204
Molecular FormulaC15H12ClNO2S
Molecular Weight305.79 g/mol
Exact Mass305.03
IUPAC Name3-(2-chlorophenyl)-5,6-dimethoxy-1,2-benzothiazole
SMILESCOc1cc2snc(-c3ccccc3Cl)c2cc1OC
InChIInChI=1S/C15H12ClNO2S/c1-18-12-7-10-14(8-13(12)19-2)20-17-15(10)9-5-3-4-6-11(9)16/h3-8H,1-2H3
InChIKeyYIUFGFAOACRNHN-UHFFFAOYSA-N
XLogP4.63
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5,6-dimethoxy-1,2-benzothiazole?
The IUPAC name of 3-(2-chlorophenyl)-5,6-dimethoxy-1,2-benzothiazole (CID 13270204) is 3-(2-chlorophenyl)-5,6-dimethoxy-1,2-benzothiazole.
What is the SMILES notation for 3-(2-chlorophenyl)-5,6-dimethoxy-1,2-benzothiazole?
The canonical SMILES for 3-(2-chlorophenyl)-5,6-dimethoxy-1,2-benzothiazole is COc1cc2snc(-c3ccccc3Cl)c2cc1OC.
What is the InChIKey of 3-(2-chlorophenyl)-5,6-dimethoxy-1,2-benzothiazole?
The InChIKey is YIUFGFAOACRNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2S/c1-18-12-7-10-14(8-13(12)19-2)20-17-15(10)9-5-3-4-6-11(9)16/h3-8H,1-2H3.
What are the key properties of 3-(2-chlorophenyl)-5,6-dimethoxy-1,2-benzothiazole?
3-(2-chlorophenyl)-5,6-dimethoxy-1,2-benzothiazole has a molecular weight of 305.79 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5,6-dimethoxy-1,2-benzothiazole is sourced from PubChem (CID 13270204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).