5-methoxy-2-methylsulfanyl-[1,3]thiazino[6,5-b]indole

C12H10N2OS2 — CID 10332932

IUPAC5-methoxy-2-methylsulfanyl-[1,3]thiazino[6,5-b]indole
SMILESCOc1cccc2nc3sc(SC)ncc-3c12
InChIInChI=1S/C12H10N2OS2/c1-15-9-5-3-4-8-10(9)7-6-13-12(16-2)17-11(7)14-8/h3-6H,1-2H3
InChIKeyJDYSKRAQSOYTDY-UHFFFAOYSA-N
MW262.36 g/mol
LogP3.53
Rot. Bonds2

About 5-methoxy-2-methylsulfanyl-[1,3]thiazino[6,5-b]indole

5-methoxy-2-methylsulfanyl-[1,3]thiazino[6,5-b]indole (PubChem CID 10332932) has the molecular formula C12H10N2OS2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 5-methoxy-2-methylsulfanyl-[1,3]thiazino[6,5-b]indole.

Molecular Properties

Compound Name5-methoxy-2-methylsulfanyl-[1,3]thiazino[6,5-b]indole
PubChem CID10332932
Molecular FormulaC12H10N2OS2
Molecular Weight262.36 g/mol
Exact Mass262.02
IUPAC Name5-methoxy-2-methylsulfanyl-[1,3]thiazino[6,5-b]indole
SMILESCOc1cccc2nc3sc(SC)ncc-3c12
InChIInChI=1S/C12H10N2OS2/c1-15-9-5-3-4-8-10(9)7-6-13-12(16-2)17-11(7)14-8/h3-6H,1-2H3
InChIKeyJDYSKRAQSOYTDY-UHFFFAOYSA-N
XLogP3.53
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methylsulfanyl-[1,3]thiazino[6,5-b]indole?
The IUPAC name of 5-methoxy-2-methylsulfanyl-[1,3]thiazino[6,5-b]indole (CID 10332932) is 5-methoxy-2-methylsulfanyl-[1,3]thiazino[6,5-b]indole.
What is the SMILES notation for 5-methoxy-2-methylsulfanyl-[1,3]thiazino[6,5-b]indole?
The canonical SMILES for 5-methoxy-2-methylsulfanyl-[1,3]thiazino[6,5-b]indole is COc1cccc2nc3sc(SC)ncc-3c12.
What is the InChIKey of 5-methoxy-2-methylsulfanyl-[1,3]thiazino[6,5-b]indole?
The InChIKey is JDYSKRAQSOYTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS2/c1-15-9-5-3-4-8-10(9)7-6-13-12(16-2)17-11(7)14-8/h3-6H,1-2H3.
What are the key properties of 5-methoxy-2-methylsulfanyl-[1,3]thiazino[6,5-b]indole?
5-methoxy-2-methylsulfanyl-[1,3]thiazino[6,5-b]indole has a molecular weight of 262.36 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methylsulfanyl-[1,3]thiazino[6,5-b]indole is sourced from PubChem (CID 10332932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).