methyl 2-[(2Z)-2-butylidene-4-oxo-1,3-thiazolidin-5-yl]acetate

C10H15NO3S — CID 142410227

IUPACmethyl 2-[(2Z)-2-butylidene-4-oxo-1,3-thiazolidin-5-yl]acetate
SMILESCCC/C=C1/NC(=O)C(CC(=O)OC)S1
InChIInChI=1S/C10H15NO3S/c1-3-4-5-8-11-10(13)7(15-8)6-9(12)14-2/h5,7H,3-4,6H2,1-2H3,(H,11,13)/b8-5-
InChIKeyCSQCYUUQDJPSTQ-YVMONPNESA-N
MW229.30 g/mol
LogP1.42
Rot. Bonds4

About methyl 2-[(2Z)-2-butylidene-4-oxo-1,3-thiazolidin-5-yl]acetate

methyl 2-[(2Z)-2-butylidene-4-oxo-1,3-thiazolidin-5-yl]acetate (PubChem CID 142410227) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is methyl 2-[(2Z)-2-butylidene-4-oxo-1,3-thiazolidin-5-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2Z)-2-butylidene-4-oxo-1,3-thiazolidin-5-yl]acetate
PubChem CID142410227
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Namemethyl 2-[(2Z)-2-butylidene-4-oxo-1,3-thiazolidin-5-yl]acetate
SMILESCCC/C=C1/NC(=O)C(CC(=O)OC)S1
InChIInChI=1S/C10H15NO3S/c1-3-4-5-8-11-10(13)7(15-8)6-9(12)14-2/h5,7H,3-4,6H2,1-2H3,(H,11,13)/b8-5-
InChIKeyCSQCYUUQDJPSTQ-YVMONPNESA-N
XLogP1.42
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(2Z)-2-butylidene-4-oxo-1,3-thiazolidin-5-yl]acetate 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 2-[(2Z)-2-butylidene-4-oxo-1,3-thiazolidin-5-yl]acetate?
The IUPAC name of methyl 2-[(2Z)-2-butylidene-4-oxo-1,3-thiazolidin-5-yl]acetate (CID 142410227) is methyl 2-[(2Z)-2-butylidene-4-oxo-1,3-thiazolidin-5-yl]acetate.
What is the SMILES notation for methyl 2-[(2Z)-2-butylidene-4-oxo-1,3-thiazolidin-5-yl]acetate?
The canonical SMILES for methyl 2-[(2Z)-2-butylidene-4-oxo-1,3-thiazolidin-5-yl]acetate is CCC/C=C1/NC(=O)C(CC(=O)OC)S1.
What is the InChIKey of methyl 2-[(2Z)-2-butylidene-4-oxo-1,3-thiazolidin-5-yl]acetate?
The InChIKey is CSQCYUUQDJPSTQ-YVMONPNESA-N. The full InChI is InChI=1S/C10H15NO3S/c1-3-4-5-8-11-10(13)7(15-8)6-9(12)14-2/h5,7H,3-4,6H2,1-2H3,(H,11,13)/b8-5-.
What are the key properties of methyl 2-[(2Z)-2-butylidene-4-oxo-1,3-thiazolidin-5-yl]acetate?
methyl 2-[(2Z)-2-butylidene-4-oxo-1,3-thiazolidin-5-yl]acetate has a molecular weight of 229.30 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2Z)-2-butylidene-4-oxo-1,3-thiazolidin-5-yl]acetate is sourced from PubChem (CID 142410227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).