5-(2-hydroxyethyl)-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one

C11H13N3O2S2 — CID 4628784

IUPAC5-(2-hydroxyethyl)-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)C(CCO)SC1=Nc1nccs1
InChIInChI=1S/C11H13N3O2S2/c1-2-5-14-9(16)8(3-6-15)18-11(14)13-10-12-4-7-17-10/h2,4,7-8,15H,1,3,5-6H2
InChIKeyYLXBIEOZBAMYQS-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.64
Rot. Bonds5

About 5-(2-hydroxyethyl)-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one

5-(2-hydroxyethyl)-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one (PubChem CID 4628784) has the molecular formula C11H13N3O2S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
PubChem CID4628784
Molecular FormulaC11H13N3O2S2
Molecular Weight283.38 g/mol
Exact Mass283.04
IUPAC Name5-(2-hydroxyethyl)-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)C(CCO)SC1=Nc1nccs1
InChIInChI=1S/C11H13N3O2S2/c1-2-5-14-9(16)8(3-6-15)18-11(14)13-10-12-4-7-17-10/h2,4,7-8,15H,1,3,5-6H2
InChIKeyYLXBIEOZBAMYQS-UHFFFAOYSA-N
XLogP1.64
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[[2-[4-oxo-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetyl]amino]butanoic acid
CID 4713584
5-(2-hydroxyethyl)-2-naphthalen-1-ylimino-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 18824515
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-oxo-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide
CID 3388173
N-(3,5-dimethylphenyl)-2-[(2E)-3-ethyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide
CID 21368980
2-[(2Z)-3-ethyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 6253119
2-[2-(4-fluorophenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]ethyl acetate
CID 18824526
4-[[5-(2-acetyloxyethyl)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 18824510
2-[4-[[4-oxo-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate
CID 4134837
[2-[[2-[(2E)-3-ethyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetyl]amino]phenyl] acetate
CID 21368987
(2E,5Z)-3-prop-2-enyl-5-(quinoxalin-5-ylmethylidene)-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 91901798
(2Z,5Z)-3-prop-2-enyl-5-(quinolin-2-ylmethylidene)-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 50739921
2-[2-(3-hydroxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetic acid
CID 5182151

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?
The IUPAC name of 5-(2-hydroxyethyl)-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one (CID 4628784) is 5-(2-hydroxyethyl)-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-(2-hydroxyethyl)-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?
The canonical SMILES for 5-(2-hydroxyethyl)-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one is C=CCN1C(=O)C(CCO)SC1=Nc1nccs1.
What is the InChIKey of 5-(2-hydroxyethyl)-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?
The InChIKey is YLXBIEOZBAMYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S2/c1-2-5-14-9(16)8(3-6-15)18-11(14)13-10-12-4-7-17-10/h2,4,7-8,15H,1,3,5-6H2.
What are the key properties of 5-(2-hydroxyethyl)-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?
5-(2-hydroxyethyl)-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one has a molecular weight of 283.38 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one is sourced from PubChem (CID 4628784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).