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

C14H15N3OS — CID 658168

IUPAC1-[2-(propan-2-ylamino)-[1,3]thiazolo[5,4-b]indol-4-yl]ethanone
SMILESCC(=O)n1c2ccccc2c2nc(NC(C)C)sc21
InChIInChI=1S/C14H15N3OS/c1-8(2)15-14-16-12-10-6-4-5-7-11(10)17(9(3)18)13(12)19-14/h4-8H,1-3H3,(H,15,16)
InChIKeyCLXLIXCGTAQAAR-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.73
Rot. Bonds2

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

1-[2-(propan-2-ylamino)-[1,3]thiazolo[5,4-b]indol-4-yl]ethanone (PubChem CID 658168) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-[2-(propan-2-ylamino)-[1,3]thiazolo[5,4-b]indol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(propan-2-ylamino)-[1,3]thiazolo[5,4-b]indol-4-yl]ethanone
PubChem CID658168
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name1-[2-(propan-2-ylamino)-[1,3]thiazolo[5,4-b]indol-4-yl]ethanone
SMILESCC(=O)n1c2ccccc2c2nc(NC(C)C)sc21
InChIInChI=1S/C14H15N3OS/c1-8(2)15-14-16-12-10-6-4-5-7-11(10)17(9(3)18)13(12)19-14/h4-8H,1-3H3,(H,15,16)
InChIKeyCLXLIXCGTAQAAR-UHFFFAOYSA-N
XLogP3.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(propan-2-ylamino)-[1,3]thiazolo[5,4-b]indol-4-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(propan-2-ylamino)-[1,3]thiazolo[5,4-b]indol-4-yl]ethanone?
The IUPAC name of 1-[2-(propan-2-ylamino)-[1,3]thiazolo[5,4-b]indol-4-yl]ethanone (CID 658168) is 1-[2-(propan-2-ylamino)-[1,3]thiazolo[5,4-b]indol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(propan-2-ylamino)-[1,3]thiazolo[5,4-b]indol-4-yl]ethanone?
The canonical SMILES for 1-[2-(propan-2-ylamino)-[1,3]thiazolo[5,4-b]indol-4-yl]ethanone is CC(=O)n1c2ccccc2c2nc(NC(C)C)sc21.
What is the InChIKey of 1-[2-(propan-2-ylamino)-[1,3]thiazolo[5,4-b]indol-4-yl]ethanone?
The InChIKey is CLXLIXCGTAQAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-8(2)15-14-16-12-10-6-4-5-7-11(10)17(9(3)18)13(12)19-14/h4-8H,1-3H3,(H,15,16).
What are the key properties of 1-[2-(propan-2-ylamino)-[1,3]thiazolo[5,4-b]indol-4-yl]ethanone?
1-[2-(propan-2-ylamino)-[1,3]thiazolo[5,4-b]indol-4-yl]ethanone has a molecular weight of 273.36 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(propan-2-ylamino)-[1,3]thiazolo[5,4-b]indol-4-yl]ethanone is sourced from PubChem (CID 658168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).