methyl 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoate

C9H13NO3S — CID 43216087

IUPACmethyl 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoate
SMILESCOC(=O)CCCn1c(C)csc1=O
InChIInChI=1S/C9H13NO3S/c1-7-6-14-9(12)10(7)5-3-4-8(11)13-2/h6H,3-5H2,1-2H3
InChIKeyAHPCJFFNHWBJOI-UHFFFAOYSA-N
MW215.27 g/mol
LogP1.17
Rot. Bonds4

About methyl 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoate

methyl 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoate (PubChem CID 43216087) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is methyl 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoate.

Molecular Properties

Compound Namemethyl 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoate
PubChem CID43216087
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Namemethyl 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoate
SMILESCOC(=O)CCCn1c(C)csc1=O
InChIInChI=1S/C9H13NO3S/c1-7-6-14-9(12)10(7)5-3-4-8(11)13-2/h6H,3-5H2,1-2H3
InChIKeyAHPCJFFNHWBJOI-UHFFFAOYSA-N
XLogP1.17
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-(4-methyl-2-oxo-1,3-thiazol-3-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 methyl 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoate?
The IUPAC name of methyl 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoate (CID 43216087) is methyl 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoate.
What is the SMILES notation for methyl 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoate?
The canonical SMILES for methyl 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoate is COC(=O)CCCn1c(C)csc1=O.
What is the InChIKey of methyl 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoate?
The InChIKey is AHPCJFFNHWBJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-7-6-14-9(12)10(7)5-3-4-8(11)13-2/h6H,3-5H2,1-2H3.
What are the key properties of methyl 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoate?
methyl 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoate has a molecular weight of 215.27 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoate is sourced from PubChem (CID 43216087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).