4-methoxy-1,3-benzothiazole

C8H7NOS — CID 12631858

IUPAC4-methoxy-1,3-benzothiazole
SMILESCOc1cccc2scnc12
InChIInChI=1S/C8H7NOS/c1-10-6-3-2-4-7-8(6)9-5-11-7/h2-5H,1H3
InChIKeyXQPAPBLJJLIQGV-UHFFFAOYSA-N
MW165.22 g/mol
LogP2.30
Rot. Bonds1

About 4-methoxy-1,3-benzothiazole

4-methoxy-1,3-benzothiazole (PubChem CID 12631858) has the molecular formula C8H7NOS and a molecular weight of 165.22 g/mol. Its IUPAC name is 4-methoxy-1,3-benzothiazole.

Molecular Properties

Compound Name4-methoxy-1,3-benzothiazole
PubChem CID12631858
Molecular FormulaC8H7NOS
Molecular Weight165.22 g/mol
Exact Mass165.02
IUPAC Name4-methoxy-1,3-benzothiazole
SMILESCOc1cccc2scnc12
InChIInChI=1S/C8H7NOS/c1-10-6-3-2-4-7-8(6)9-5-11-7/h2-5H,1H3
InChIKeyXQPAPBLJJLIQGV-UHFFFAOYSA-N
XLogP2.30
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1,3-benzothiazole?
The IUPAC name of 4-methoxy-1,3-benzothiazole (CID 12631858) is 4-methoxy-1,3-benzothiazole.
What is the SMILES notation for 4-methoxy-1,3-benzothiazole?
The canonical SMILES for 4-methoxy-1,3-benzothiazole is COc1cccc2scnc12.
What is the InChIKey of 4-methoxy-1,3-benzothiazole?
The InChIKey is XQPAPBLJJLIQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NOS/c1-10-6-3-2-4-7-8(6)9-5-11-7/h2-5H,1H3.
What are the key properties of 4-methoxy-1,3-benzothiazole?
4-methoxy-1,3-benzothiazole has a molecular weight of 165.22 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1,3-benzothiazole is sourced from PubChem (CID 12631858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).