2-(4-chlorophenyl)-6-methoxy-1,3-benzothiazole

C14H10ClNOS — CID 14920721

IUPAC2-(4-chlorophenyl)-6-methoxy-1,3-benzothiazole
SMILESCOc1ccc2nc(-c3ccc(Cl)cc3)sc2c1
InChIInChI=1S/C14H10ClNOS/c1-17-11-6-7-12-13(8-11)18-14(16-12)9-2-4-10(15)5-3-9/h2-8H,1H3
InChIKeyIAOQAZIOISGMFF-UHFFFAOYSA-N
MW275.76 g/mol
LogP4.63
Rot. Bonds2

About 2-(4-chlorophenyl)-6-methoxy-1,3-benzothiazole

2-(4-chlorophenyl)-6-methoxy-1,3-benzothiazole (PubChem CID 14920721) has the molecular formula C14H10ClNOS and a molecular weight of 275.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-methoxy-1,3-benzothiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-methoxy-1,3-benzothiazole
PubChem CID14920721
Molecular FormulaC14H10ClNOS
Molecular Weight275.76 g/mol
Exact Mass275.02
IUPAC Name2-(4-chlorophenyl)-6-methoxy-1,3-benzothiazole
SMILESCOc1ccc2nc(-c3ccc(Cl)cc3)sc2c1
InChIInChI=1S/C14H10ClNOS/c1-17-11-6-7-12-13(8-11)18-14(16-12)9-2-4-10(15)5-3-9/h2-8H,1H3
InChIKeyIAOQAZIOISGMFF-UHFFFAOYSA-N
XLogP4.63
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-methoxy-1,3-benzothiazole?
The IUPAC name of 2-(4-chlorophenyl)-6-methoxy-1,3-benzothiazole (CID 14920721) is 2-(4-chlorophenyl)-6-methoxy-1,3-benzothiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-6-methoxy-1,3-benzothiazole?
The canonical SMILES for 2-(4-chlorophenyl)-6-methoxy-1,3-benzothiazole is COc1ccc2nc(-c3ccc(Cl)cc3)sc2c1.
What is the InChIKey of 2-(4-chlorophenyl)-6-methoxy-1,3-benzothiazole?
The InChIKey is IAOQAZIOISGMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNOS/c1-17-11-6-7-12-13(8-11)18-14(16-12)9-2-4-10(15)5-3-9/h2-8H,1H3.
What are the key properties of 2-(4-chlorophenyl)-6-methoxy-1,3-benzothiazole?
2-(4-chlorophenyl)-6-methoxy-1,3-benzothiazole has a molecular weight of 275.76 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-methoxy-1,3-benzothiazole is sourced from PubChem (CID 14920721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).