3-(4-methoxyphenyl)-1,2-benzothiazole

C14H11NOS — CID 102173718

IUPAC3-(4-methoxyphenyl)-1,2-benzothiazole
SMILESCOc1ccc(-c2nsc3ccccc23)cc1
InChIInChI=1S/C14H11NOS/c1-16-11-8-6-10(7-9-11)14-12-4-2-3-5-13(12)17-15-14/h2-9H,1H3
InChIKeyUYLILQQAXFPQJW-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.97
Rot. Bonds2

About 3-(4-methoxyphenyl)-1,2-benzothiazole

3-(4-methoxyphenyl)-1,2-benzothiazole (PubChem CID 102173718) has the molecular formula C14H11NOS and a molecular weight of 241.32 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1,2-benzothiazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1,2-benzothiazole
PubChem CID102173718
Molecular FormulaC14H11NOS
Molecular Weight241.32 g/mol
Exact Mass241.06
IUPAC Name3-(4-methoxyphenyl)-1,2-benzothiazole
SMILESCOc1ccc(-c2nsc3ccccc23)cc1
InChIInChI=1S/C14H11NOS/c1-16-11-8-6-10(7-9-11)14-12-4-2-3-5-13(12)17-15-14/h2-9H,1H3
InChIKeyUYLILQQAXFPQJW-UHFFFAOYSA-N
XLogP3.97
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1,2-benzothiazole?
The IUPAC name of 3-(4-methoxyphenyl)-1,2-benzothiazole (CID 102173718) is 3-(4-methoxyphenyl)-1,2-benzothiazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-1,2-benzothiazole?
The canonical SMILES for 3-(4-methoxyphenyl)-1,2-benzothiazole is COc1ccc(-c2nsc3ccccc23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1,2-benzothiazole?
The InChIKey is UYLILQQAXFPQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS/c1-16-11-8-6-10(7-9-11)14-12-4-2-3-5-13(12)17-15-14/h2-9H,1H3.
What are the key properties of 3-(4-methoxyphenyl)-1,2-benzothiazole?
3-(4-methoxyphenyl)-1,2-benzothiazole has a molecular weight of 241.32 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1,2-benzothiazole is sourced from PubChem (CID 102173718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).