2-(1-methylimidazol-2-yl)-3-(2-methylprop-2-enyl)-1,3-thiazolidin-4-one

C11H15N3OS — CID 74227444

IUPAC2-(1-methylimidazol-2-yl)-3-(2-methylprop-2-enyl)-1,3-thiazolidin-4-one
SMILESC=C(C)CN1C(=O)CSC1c1nccn1C
InChIInChI=1S/C11H15N3OS/c1-8(2)6-14-9(15)7-16-11(14)10-12-4-5-13(10)3/h4-5,11H,1,6-7H2,2-3H3
InChIKeyAUAVQEUTTKPDMX-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.57
Rot. Bonds3

About 2-(1-methylimidazol-2-yl)-3-(2-methylprop-2-enyl)-1,3-thiazolidin-4-one

2-(1-methylimidazol-2-yl)-3-(2-methylprop-2-enyl)-1,3-thiazolidin-4-one (PubChem CID 74227444) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-3-(2-methylprop-2-enyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-3-(2-methylprop-2-enyl)-1,3-thiazolidin-4-one
PubChem CID74227444
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name2-(1-methylimidazol-2-yl)-3-(2-methylprop-2-enyl)-1,3-thiazolidin-4-one
SMILESC=C(C)CN1C(=O)CSC1c1nccn1C
InChIInChI=1S/C11H15N3OS/c1-8(2)6-14-9(15)7-16-11(14)10-12-4-5-13(10)3/h4-5,11H,1,6-7H2,2-3H3
InChIKeyAUAVQEUTTKPDMX-UHFFFAOYSA-N
XLogP1.57
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-3-(2-methylprop-2-enyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(1-methylimidazol-2-yl)-3-(2-methylprop-2-enyl)-1,3-thiazolidin-4-one (CID 74227444) is 2-(1-methylimidazol-2-yl)-3-(2-methylprop-2-enyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-3-(2-methylprop-2-enyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-3-(2-methylprop-2-enyl)-1,3-thiazolidin-4-one is C=C(C)CN1C(=O)CSC1c1nccn1C.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-3-(2-methylprop-2-enyl)-1,3-thiazolidin-4-one?
The InChIKey is AUAVQEUTTKPDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-8(2)6-14-9(15)7-16-11(14)10-12-4-5-13(10)3/h4-5,11H,1,6-7H2,2-3H3.
What are the key properties of 2-(1-methylimidazol-2-yl)-3-(2-methylprop-2-enyl)-1,3-thiazolidin-4-one?
2-(1-methylimidazol-2-yl)-3-(2-methylprop-2-enyl)-1,3-thiazolidin-4-one has a molecular weight of 237.33 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-3-(2-methylprop-2-enyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 74227444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).