ethyl 3-(2-methyl-1,3-thiazol-5-yl)butanoate

C10H15NO2S — CID 123746488

IUPACethyl 3-(2-methyl-1,3-thiazol-5-yl)butanoate
SMILESCCOC(=O)CC(C)c1cnc(C)s1
InChIInChI=1S/C10H15NO2S/c1-4-13-10(12)5-7(2)9-6-11-8(3)14-9/h6-7H,4-5H2,1-3H3
InChIKeyDHWZPRRBFDRALL-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.51
Rot. Bonds4

About ethyl 3-(2-methyl-1,3-thiazol-5-yl)butanoate

ethyl 3-(2-methyl-1,3-thiazol-5-yl)butanoate (PubChem CID 123746488) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is ethyl 3-(2-methyl-1,3-thiazol-5-yl)butanoate.

Molecular Properties

Compound Nameethyl 3-(2-methyl-1,3-thiazol-5-yl)butanoate
PubChem CID123746488
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Nameethyl 3-(2-methyl-1,3-thiazol-5-yl)butanoate
SMILESCCOC(=O)CC(C)c1cnc(C)s1
InChIInChI=1S/C10H15NO2S/c1-4-13-10(12)5-7(2)9-6-11-8(3)14-9/h6-7H,4-5H2,1-3H3
InChIKeyDHWZPRRBFDRALL-UHFFFAOYSA-N
XLogP2.51
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 3-(2-methyl-1,3-thiazol-5-yl)butanoate 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 ethyl 3-(2-methyl-1,3-thiazol-5-yl)butanoate?
The IUPAC name of ethyl 3-(2-methyl-1,3-thiazol-5-yl)butanoate (CID 123746488) is ethyl 3-(2-methyl-1,3-thiazol-5-yl)butanoate.
What is the SMILES notation for ethyl 3-(2-methyl-1,3-thiazol-5-yl)butanoate?
The canonical SMILES for ethyl 3-(2-methyl-1,3-thiazol-5-yl)butanoate is CCOC(=O)CC(C)c1cnc(C)s1.
What is the InChIKey of ethyl 3-(2-methyl-1,3-thiazol-5-yl)butanoate?
The InChIKey is DHWZPRRBFDRALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-4-13-10(12)5-7(2)9-6-11-8(3)14-9/h6-7H,4-5H2,1-3H3.
What are the key properties of ethyl 3-(2-methyl-1,3-thiazol-5-yl)butanoate?
ethyl 3-(2-methyl-1,3-thiazol-5-yl)butanoate has a molecular weight of 213.30 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-methyl-1,3-thiazol-5-yl)butanoate is sourced from PubChem (CID 123746488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).