2-(3-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one

C12H12N2O2S — CID 1314309

IUPAC2-(3-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)CS/C1=N/c1cccc(O)c1
InChIInChI=1S/C12H12N2O2S/c1-2-6-14-11(16)8-17-12(14)13-9-4-3-5-10(15)7-9/h2-5,7,15H,1,6,8H2/b13-12+
InChIKeyMPWPVTZWXNZDSQ-OUKQBFOZSA-N
MW248.31 g/mol
LogP2.14
Rot. Bonds3

About 2-(3-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one

2-(3-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one (PubChem CID 1314309) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one
PubChem CID1314309
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name2-(3-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)CS/C1=N/c1cccc(O)c1
InChIInChI=1S/C12H12N2O2S/c1-2-6-14-11(16)8-17-12(14)13-9-4-3-5-10(15)7-9/h2-5,7,15H,1,6,8H2/b13-12+
InChIKeyMPWPVTZWXNZDSQ-OUKQBFOZSA-N
XLogP2.14
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-[(4-hydroxyphenyl)amino]-1,3-thiazol-4(5H)-one
CID 135435921
3-Allyl-2-[(4-hydroxyphenyl)imino]-1,3-thiazolidin-4-one
CID 1230260
(4E)-4-[(3-hydroxyphenyl)imino]-1,3-thiazolidin-2-one
CID 135411567
2-(3-Hydroxy-phenyl)imino-thiazolidin-4-one
CID 135439019
(5Z)-3-ethyl-5-[(2-fluorophenyl)methylidene]-2-(3-hydroxyphenyl)imino-1,3-thiazolidin-4-one
CID 27408804
(5Z)-3-ethyl-5-[(3-fluorophenyl)methylidene]-2-(3-hydroxyphenyl)imino-1,3-thiazolidin-4-one
CID 27408806
(5Z)-3-ethyl-5-[(4-fluorophenyl)methylidene]-2-(3-hydroxyphenyl)imino-1,3-thiazolidin-4-one
CID 27408807
(5Z)-5-[(2-fluorophenyl)methylidene]-2-(3-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 27435558
(5Z)-5-[(3-fluorophenyl)methylidene]-2-(3-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 27435559
(5Z)-5-[(4-fluorophenyl)methylidene]-2-(3-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 27435561
(Z)-2-((3-(3-hydroxyphenyl)-4-oxothiazolidin-2-ylidene)amino)acetic acid
CID 42100487
4-[(3-Methyl-1,3-thiazolidin-2-ylidene)amino]phenol
CID 21332173

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one (CID 1314309) is 2-(3-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one is C=CCN1C(=O)CS/C1=N/c1cccc(O)c1.
What is the InChIKey of 2-(3-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one?
The InChIKey is MPWPVTZWXNZDSQ-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-2-6-14-11(16)8-17-12(14)13-9-4-3-5-10(15)7-9/h2-5,7,15H,1,6,8H2/b13-12+.
What are the key properties of 2-(3-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one?
2-(3-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one has a molecular weight of 248.31 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 1314309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).