1-(2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)ethanone

C12H10N2OS — CID 956899

IUPAC1-(2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)ethanone
SMILESCC(=O)n1c2ccccc2c2nc(C)sc21
InChIInChI=1S/C12H10N2OS/c1-7-13-11-9-5-3-4-6-10(9)14(8(2)15)12(11)16-7/h3-6H,1-2H3
InChIKeyKEEYWBAIEIYLBN-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.22
Rot. Bonds

About 1-(2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)ethanone

1-(2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)ethanone (PubChem CID 956899) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is 1-(2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)ethanone
PubChem CID956899
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC Name1-(2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)ethanone
SMILESCC(=O)n1c2ccccc2c2nc(C)sc21
InChIInChI=1S/C12H10N2OS/c1-7-13-11-9-5-3-4-6-10(9)14(8(2)15)12(11)16-7/h3-6H,1-2H3
InChIKeyKEEYWBAIEIYLBN-UHFFFAOYSA-N
XLogP3.22
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)ethanone?
The IUPAC name of 1-(2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)ethanone (CID 956899) is 1-(2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)ethanone?
The canonical SMILES for 1-(2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)ethanone is CC(=O)n1c2ccccc2c2nc(C)sc21.
What is the InChIKey of 1-(2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)ethanone?
The InChIKey is KEEYWBAIEIYLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS/c1-7-13-11-9-5-3-4-6-10(9)14(8(2)15)12(11)16-7/h3-6H,1-2H3.
What are the key properties of 1-(2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)ethanone?
1-(2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)ethanone has a molecular weight of 230.29 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)ethanone is sourced from PubChem (CID 956899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).