4-methoxy-7-methyl-1,3-benzothiazole

C9H9NOS — CID 23253797

IUPAC4-methoxy-7-methyl-1,3-benzothiazole
SMILESCOc1ccc(C)c2scnc12
InChIInChI=1S/C9H9NOS/c1-6-3-4-7(11-2)8-9(6)12-5-10-8/h3-5H,1-2H3
InChIKeyLVFHKIBXDHOUDC-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.61
Rot. Bonds1

About 4-methoxy-7-methyl-1,3-benzothiazole

4-methoxy-7-methyl-1,3-benzothiazole (PubChem CID 23253797) has the molecular formula C9H9NOS and a molecular weight of 179.24 g/mol. Its IUPAC name is 4-methoxy-7-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name4-methoxy-7-methyl-1,3-benzothiazole
PubChem CID23253797
Molecular FormulaC9H9NOS
Molecular Weight179.24 g/mol
Exact Mass179.04
IUPAC Name4-methoxy-7-methyl-1,3-benzothiazole
SMILESCOc1ccc(C)c2scnc12
InChIInChI=1S/C9H9NOS/c1-6-3-4-7(11-2)8-9(6)12-5-10-8/h3-5H,1-2H3
InChIKeyLVFHKIBXDHOUDC-UHFFFAOYSA-N
XLogP2.61
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-7-methyl-1,3-benzothiazole?
The IUPAC name of 4-methoxy-7-methyl-1,3-benzothiazole (CID 23253797) is 4-methoxy-7-methyl-1,3-benzothiazole.
What is the SMILES notation for 4-methoxy-7-methyl-1,3-benzothiazole?
The canonical SMILES for 4-methoxy-7-methyl-1,3-benzothiazole is COc1ccc(C)c2scnc12.
What is the InChIKey of 4-methoxy-7-methyl-1,3-benzothiazole?
The InChIKey is LVFHKIBXDHOUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NOS/c1-6-3-4-7(11-2)8-9(6)12-5-10-8/h3-5H,1-2H3.
What are the key properties of 4-methoxy-7-methyl-1,3-benzothiazole?
4-methoxy-7-methyl-1,3-benzothiazole has a molecular weight of 179.24 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-7-methyl-1,3-benzothiazole is sourced from PubChem (CID 23253797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).