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

C11H9N3OS — CID 956901

IUPAC1-(2-amino-[1,3]thiazolo[5,4-b]indol-4-yl)ethanone
SMILESCC(=O)n1c2ccccc2c2nc(N)sc21
InChIInChI=1S/C11H9N3OS/c1-6(15)14-8-5-3-2-4-7(8)9-10(14)16-11(12)13-9/h2-5H,1H3,(H2,12,13)
InChIKeyUCASOJUYDMNQLC-UHFFFAOYSA-N
MW231.28 g/mol
LogP2.49
Rot. Bonds

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

1-(2-amino-[1,3]thiazolo[5,4-b]indol-4-yl)ethanone (PubChem CID 956901) has the molecular formula C11H9N3OS and a molecular weight of 231.28 g/mol. Its IUPAC name is 1-(2-amino-[1,3]thiazolo[5,4-b]indol-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-amino-[1,3]thiazolo[5,4-b]indol-4-yl)ethanone
PubChem CID956901
Molecular FormulaC11H9N3OS
Molecular Weight231.28 g/mol
Exact Mass231.05
IUPAC Name1-(2-amino-[1,3]thiazolo[5,4-b]indol-4-yl)ethanone
SMILESCC(=O)n1c2ccccc2c2nc(N)sc21
InChIInChI=1S/C11H9N3OS/c1-6(15)14-8-5-3-2-4-7(8)9-10(14)16-11(12)13-9/h2-5H,1H3,(H2,12,13)
InChIKeyUCASOJUYDMNQLC-UHFFFAOYSA-N
XLogP2.49
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-[1,3]thiazolo[5,4-b]indol-4-yl)ethanone?
The IUPAC name of 1-(2-amino-[1,3]thiazolo[5,4-b]indol-4-yl)ethanone (CID 956901) is 1-(2-amino-[1,3]thiazolo[5,4-b]indol-4-yl)ethanone.
What is the SMILES notation for 1-(2-amino-[1,3]thiazolo[5,4-b]indol-4-yl)ethanone?
The canonical SMILES for 1-(2-amino-[1,3]thiazolo[5,4-b]indol-4-yl)ethanone is CC(=O)n1c2ccccc2c2nc(N)sc21.
What is the InChIKey of 1-(2-amino-[1,3]thiazolo[5,4-b]indol-4-yl)ethanone?
The InChIKey is UCASOJUYDMNQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3OS/c1-6(15)14-8-5-3-2-4-7(8)9-10(14)16-11(12)13-9/h2-5H,1H3,(H2,12,13).
What are the key properties of 1-(2-amino-[1,3]thiazolo[5,4-b]indol-4-yl)ethanone?
1-(2-amino-[1,3]thiazolo[5,4-b]indol-4-yl)ethanone has a molecular weight of 231.28 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-[1,3]thiazolo[5,4-b]indol-4-yl)ethanone is sourced from PubChem (CID 956901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).