5-methoxy-2-methyl-6-methylsulfanyl-1,3-benzothiazole

C10H11NOS2 — CID 744441

IUPAC5-methoxy-2-methyl-6-methylsulfanyl-1,3-benzothiazole
SMILESCOc1cc2nc(C)sc2cc1SC
InChIInChI=1S/C10H11NOS2/c1-6-11-7-4-8(12-2)10(13-3)5-9(7)14-6/h4-5H,1-3H3
InChIKeyGWLKCQDLVAXDDK-UHFFFAOYSA-N
MW225.34 g/mol
LogP3.34
Rot. Bonds2

About 5-methoxy-2-methyl-6-methylsulfanyl-1,3-benzothiazole

5-methoxy-2-methyl-6-methylsulfanyl-1,3-benzothiazole (PubChem CID 744441) has the molecular formula C10H11NOS2 and a molecular weight of 225.34 g/mol. Its IUPAC name is 5-methoxy-2-methyl-6-methylsulfanyl-1,3-benzothiazole.

Molecular Properties

Compound Name5-methoxy-2-methyl-6-methylsulfanyl-1,3-benzothiazole
PubChem CID744441
Molecular FormulaC10H11NOS2
Molecular Weight225.34 g/mol
Exact Mass225.03
IUPAC Name5-methoxy-2-methyl-6-methylsulfanyl-1,3-benzothiazole
SMILESCOc1cc2nc(C)sc2cc1SC
InChIInChI=1S/C10H11NOS2/c1-6-11-7-4-8(12-2)10(13-3)5-9(7)14-6/h4-5H,1-3H3
InChIKeyGWLKCQDLVAXDDK-UHFFFAOYSA-N
XLogP3.34
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-6-methylsulfanyl-1,3-benzothiazole?
The IUPAC name of 5-methoxy-2-methyl-6-methylsulfanyl-1,3-benzothiazole (CID 744441) is 5-methoxy-2-methyl-6-methylsulfanyl-1,3-benzothiazole.
What is the SMILES notation for 5-methoxy-2-methyl-6-methylsulfanyl-1,3-benzothiazole?
The canonical SMILES for 5-methoxy-2-methyl-6-methylsulfanyl-1,3-benzothiazole is COc1cc2nc(C)sc2cc1SC.
What is the InChIKey of 5-methoxy-2-methyl-6-methylsulfanyl-1,3-benzothiazole?
The InChIKey is GWLKCQDLVAXDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS2/c1-6-11-7-4-8(12-2)10(13-3)5-9(7)14-6/h4-5H,1-3H3.
What are the key properties of 5-methoxy-2-methyl-6-methylsulfanyl-1,3-benzothiazole?
5-methoxy-2-methyl-6-methylsulfanyl-1,3-benzothiazole has a molecular weight of 225.34 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-6-methylsulfanyl-1,3-benzothiazole is sourced from PubChem (CID 744441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).