6-(4-methoxyphenyl)-1,3-benzothiazole

C14H11NOS — CID 91124365

IUPAC6-(4-methoxyphenyl)-1,3-benzothiazole
SMILESCOc1ccc(-c2ccc3ncsc3c2)cc1
InChIInChI=1S/C14H11NOS/c1-16-12-5-2-10(3-6-12)11-4-7-13-14(8-11)17-9-15-13/h2-9H,1H3
InChIKeyOJLBTCYSMJRGHL-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.97
Rot. Bonds2

About 6-(4-methoxyphenyl)-1,3-benzothiazole

6-(4-methoxyphenyl)-1,3-benzothiazole (PubChem CID 91124365) has the molecular formula C14H11NOS and a molecular weight of 241.32 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-1,3-benzothiazole.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-1,3-benzothiazole
PubChem CID91124365
Molecular FormulaC14H11NOS
Molecular Weight241.32 g/mol
Exact Mass241.06
IUPAC Name6-(4-methoxyphenyl)-1,3-benzothiazole
SMILESCOc1ccc(-c2ccc3ncsc3c2)cc1
InChIInChI=1S/C14H11NOS/c1-16-12-5-2-10(3-6-12)11-4-7-13-14(8-11)17-9-15-13/h2-9H,1H3
InChIKeyOJLBTCYSMJRGHL-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 6-(4-methoxyphenyl)-1,3-benzothiazole?
The IUPAC name of 6-(4-methoxyphenyl)-1,3-benzothiazole (CID 91124365) is 6-(4-methoxyphenyl)-1,3-benzothiazole.
What is the SMILES notation for 6-(4-methoxyphenyl)-1,3-benzothiazole?
The canonical SMILES for 6-(4-methoxyphenyl)-1,3-benzothiazole is COc1ccc(-c2ccc3ncsc3c2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-1,3-benzothiazole?
The InChIKey is OJLBTCYSMJRGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS/c1-16-12-5-2-10(3-6-12)11-4-7-13-14(8-11)17-9-15-13/h2-9H,1H3.
What are the key properties of 6-(4-methoxyphenyl)-1,3-benzothiazole?
6-(4-methoxyphenyl)-1,3-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 6-(4-methoxyphenyl)-1,3-benzothiazole is sourced from PubChem (CID 91124365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).