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

C8H13NOS — CID 143565303

IUPAC1-(3-ethyl-4-methyl-2H-1,3-thiazol-5-yl)ethanone
SMILESCCN1CSC(C(C)=O)=C1C
InChIInChI=1S/C8H13NOS/c1-4-9-5-11-8(6(9)2)7(3)10/h4-5H2,1-3H3
InChIKeyUKCPCLCOYAYOMS-UHFFFAOYSA-N
MW171.26 g/mol
LogP1.83
Rot. Bonds2

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

1-(3-ethyl-4-methyl-2H-1,3-thiazol-5-yl)ethanone (PubChem CID 143565303) has the molecular formula C8H13NOS and a molecular weight of 171.26 g/mol. Its IUPAC name is 1-(3-ethyl-4-methyl-2H-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-ethyl-4-methyl-2H-1,3-thiazol-5-yl)ethanone
PubChem CID143565303
Molecular FormulaC8H13NOS
Molecular Weight171.26 g/mol
Exact Mass171.07
IUPAC Name1-(3-ethyl-4-methyl-2H-1,3-thiazol-5-yl)ethanone
SMILESCCN1CSC(C(C)=O)=C1C
InChIInChI=1S/C8H13NOS/c1-4-9-5-11-8(6(9)2)7(3)10/h4-5H2,1-3H3
InChIKeyUKCPCLCOYAYOMS-UHFFFAOYSA-N
XLogP1.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-ethyl-4-methyl-2H-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-(3-ethyl-4-methyl-2H-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(3-ethyl-4-methyl-2H-1,3-thiazol-5-yl)ethanone (CID 143565303) is 1-(3-ethyl-4-methyl-2H-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(3-ethyl-4-methyl-2H-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(3-ethyl-4-methyl-2H-1,3-thiazol-5-yl)ethanone is CCN1CSC(C(C)=O)=C1C.
What is the InChIKey of 1-(3-ethyl-4-methyl-2H-1,3-thiazol-5-yl)ethanone?
The InChIKey is UKCPCLCOYAYOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-4-9-5-11-8(6(9)2)7(3)10/h4-5H2,1-3H3.
What are the key properties of 1-(3-ethyl-4-methyl-2H-1,3-thiazol-5-yl)ethanone?
1-(3-ethyl-4-methyl-2H-1,3-thiazol-5-yl)ethanone has a molecular weight of 171.26 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-4-methyl-2H-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 143565303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).