1-[5-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-yl]ethanone

C10H13NO2S — CID 130503595

IUPAC1-[5-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-yl]ethanone
SMILESCC(=O)c1nc(C2CCOC2)c(C)s1
InChIInChI=1S/C10H13NO2S/c1-6(12)10-11-9(7(2)14-10)8-3-4-13-5-8/h8H,3-5H2,1-2H3
InChIKeyOMCNCYIXLSMPRY-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.16
Rot. Bonds2

About 1-[5-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-yl]ethanone

1-[5-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-yl]ethanone (PubChem CID 130503595) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 1-[5-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-yl]ethanone
PubChem CID130503595
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name1-[5-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-yl]ethanone
SMILESCC(=O)c1nc(C2CCOC2)c(C)s1
InChIInChI=1S/C10H13NO2S/c1-6(12)10-11-9(7(2)14-10)8-3-4-13-5-8/h8H,3-5H2,1-2H3
InChIKeyOMCNCYIXLSMPRY-UHFFFAOYSA-N
XLogP2.16
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[5-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-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

Related Compounds

[5-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-yl]methanol
CID 115021751
4-cyclopropyl-5-methyl-1,3-thiazole-2-carboxylic acid
CID 105440602
2-bromo-5-methyl-6-(oxolan-3-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 130503537
2-chloro-N-[5-methyl-4-(oxan-3-yl)-1,3-thiazol-2-yl]acetamide
CID 166431904
N-[1-[5-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170576741
2-cyclopropyl-4-(oxolan-3-yl)-1,3-thiazole-5-carboxylic acid
CID 115043101
1-[5-methyl-4-(oxan-4-yl)-1,3-thiazol-2-yl]ethanol
CID 116867651
N-[3-[5-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-yl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 177028722
2-tert-butyl-4-(oxolan-3-yl)-1,3-oxazole-5-carboxylic acid
CID 115043050
5-methyl-2-(oxolan-3-yl)-1H-imidazole-4-carboxylic acid
CID 115020549
1-[5-(oxolan-3-yl)-1H-pyrazol-3-yl]ethanone
CID 115092194
1-[4-[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 126430096

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-yl]ethanone?
The IUPAC name of 1-[5-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-yl]ethanone (CID 130503595) is 1-[5-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-yl]ethanone.
What is the SMILES notation for 1-[5-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-yl]ethanone?
The canonical SMILES for 1-[5-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-yl]ethanone is CC(=O)c1nc(C2CCOC2)c(C)s1.
What is the InChIKey of 1-[5-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-yl]ethanone?
The InChIKey is OMCNCYIXLSMPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-6(12)10-11-9(7(2)14-10)8-3-4-13-5-8/h8H,3-5H2,1-2H3.
What are the key properties of 1-[5-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-yl]ethanone?
1-[5-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-yl]ethanone has a molecular weight of 211.29 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-yl]ethanone is sourced from PubChem (CID 130503595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).