7-methoxy-2-methyl-4H-[1,3]thiazolo[5,4-b]indole

C11H10N2OS — CID 949337

IUPAC7-methoxy-2-methyl-4H-[1,3]thiazolo[5,4-b]indole
SMILESCOc1ccc2[nH]c3sc(C)nc3c2c1
InChIInChI=1S/C11H10N2OS/c1-6-12-10-8-5-7(14-2)3-4-9(8)13-11(10)15-6/h3-5,13H,1-2H3
InChIKeyPPWOFNYNNLZZOQ-UHFFFAOYSA-N
MW218.28 g/mol
LogP3.09
Rot. Bonds1

About 7-methoxy-2-methyl-4H-[1,3]thiazolo[5,4-b]indole

7-methoxy-2-methyl-4H-[1,3]thiazolo[5,4-b]indole (PubChem CID 949337) has the molecular formula C11H10N2OS and a molecular weight of 218.28 g/mol. Its IUPAC name is 7-methoxy-2-methyl-4H-[1,3]thiazolo[5,4-b]indole.

Molecular Properties

Compound Name7-methoxy-2-methyl-4H-[1,3]thiazolo[5,4-b]indole
PubChem CID949337
Molecular FormulaC11H10N2OS
Molecular Weight218.28 g/mol
Exact Mass218.05
IUPAC Name7-methoxy-2-methyl-4H-[1,3]thiazolo[5,4-b]indole
SMILESCOc1ccc2[nH]c3sc(C)nc3c2c1
InChIInChI=1S/C11H10N2OS/c1-6-12-10-8-5-7(14-2)3-4-9(8)13-11(10)15-6/h3-5,13H,1-2H3
InChIKeyPPWOFNYNNLZZOQ-UHFFFAOYSA-N
XLogP3.09
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-4H-[1,3]thiazolo[5,4-b]indole?
The IUPAC name of 7-methoxy-2-methyl-4H-[1,3]thiazolo[5,4-b]indole (CID 949337) is 7-methoxy-2-methyl-4H-[1,3]thiazolo[5,4-b]indole.
What is the SMILES notation for 7-methoxy-2-methyl-4H-[1,3]thiazolo[5,4-b]indole?
The canonical SMILES for 7-methoxy-2-methyl-4H-[1,3]thiazolo[5,4-b]indole is COc1ccc2[nH]c3sc(C)nc3c2c1.
What is the InChIKey of 7-methoxy-2-methyl-4H-[1,3]thiazolo[5,4-b]indole?
The InChIKey is PPWOFNYNNLZZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS/c1-6-12-10-8-5-7(14-2)3-4-9(8)13-11(10)15-6/h3-5,13H,1-2H3.
What are the key properties of 7-methoxy-2-methyl-4H-[1,3]thiazolo[5,4-b]indole?
7-methoxy-2-methyl-4H-[1,3]thiazolo[5,4-b]indole has a molecular weight of 218.28 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-4H-[1,3]thiazolo[5,4-b]indole is sourced from PubChem (CID 949337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).