1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethanone

C6H8N2OS — CID 720882

IUPAC1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethanone
SMILESCC(=O)c1sc(N)nc1C
InChIInChI=1S/C6H8N2OS/c1-3-5(4(2)9)10-6(7)8-3/h1-2H3,(H2,7,8)
InChIKeyPKUKCASRNJIQNU-UHFFFAOYSA-N
MW156.21 g/mol
LogP1.24
Rot. Bonds1

About 1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethanone

1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethanone (PubChem CID 720882) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is 1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethanone
PubChem CID720882
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Name1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethanone
SMILESCC(=O)c1sc(N)nc1C
InChIInChI=1S/C6H8N2OS/c1-3-5(4(2)9)10-6(7)8-3/h1-2H3,(H2,7,8)
InChIKeyPKUKCASRNJIQNU-UHFFFAOYSA-N
XLogP1.24
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-amino-4-methyl-1,3-thiazol-5-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-amino-4-methyl-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethanone (CID 720882) is 1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethanone is CC(=O)c1sc(N)nc1C.
What is the InChIKey of 1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethanone?
The InChIKey is PKUKCASRNJIQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS/c1-3-5(4(2)9)10-6(7)8-3/h1-2H3,(H2,7,8).
What are the key properties of 1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethanone?
1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethanone has a molecular weight of 156.21 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 720882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).