3-ethyl-4-hydroxy-5-(phenyliminomethyl)-1,3-thiazol-2-one

C12H12N2O2S — CID 1416942

IUPAC3-ethyl-4-hydroxy-5-(phenyliminomethyl)-1,3-thiazol-2-one
SMILESCCn1c(O)c(/C=N/c2ccccc2)sc1=O
InChIInChI=1S/C12H12N2O2S/c1-2-14-11(15)10(17-12(14)16)8-13-9-6-4-3-5-7-9/h3-8,15H,2H2,1H3/b13-8+
InChIKeyLKZNKKODNIZHQT-MDWZMJQESA-N
MW248.31 g/mol
LogP2.39
Rot. Bonds3

About 3-ethyl-4-hydroxy-5-(phenyliminomethyl)-1,3-thiazol-2-one

3-ethyl-4-hydroxy-5-(phenyliminomethyl)-1,3-thiazol-2-one (PubChem CID 1416942) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 3-ethyl-4-hydroxy-5-(phenyliminomethyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-ethyl-4-hydroxy-5-(phenyliminomethyl)-1,3-thiazol-2-one
PubChem CID1416942
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name3-ethyl-4-hydroxy-5-(phenyliminomethyl)-1,3-thiazol-2-one
SMILESCCn1c(O)c(/C=N/c2ccccc2)sc1=O
InChIInChI=1S/C12H12N2O2S/c1-2-14-11(15)10(17-12(14)16)8-13-9-6-4-3-5-7-9/h3-8,15H,2H2,1H3/b13-8+
InChIKeyLKZNKKODNIZHQT-MDWZMJQESA-N
XLogP2.39
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-Thiazolidinone, 3-ethyl-5-[(phenylamino)methylene]-2-thioxo-
CID 170221
5-[(4-Bromoanilino)methylidene]-3-methylthiazolidine-2,4-dione
CID 1488033
3-Ethyl-5-[(phenylamino)methylene]-2-thioxo-1,3-oxazolidin-4-one
CID 644817
5-[(Phenylamino)methylidene]-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1870876
2-[5-(Anilinomethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetic acid
CID 2831516
(5E)-3-ethyl-5-(1H-indol-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 135448748
(5Z)-5-(anilinomethylidene)-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4274100
3-Butyl-5-(5-phenylamino-penta-2,4-dienylidene)-2-thioxo-thiazolidin-4-one
CID 135451622
3-Ethyl-5-(5-phenylamino-penta-2,4-dienylidene)-2-thioxo-thiazolidin-4-one
CID 135451167
(5E)-3-methyl-5-[(phenylamino)methylidene]-2-thioxo-1,3-oxazolidin-4-one
CID 3850036
3-butyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-2-one
CID 135440866
3-ethyl-5-(1H-indol-3-ylmethylidene)thiazolidine-2,4-dione
CID 1309778

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-hydroxy-5-(phenyliminomethyl)-1,3-thiazol-2-one?
The IUPAC name of 3-ethyl-4-hydroxy-5-(phenyliminomethyl)-1,3-thiazol-2-one (CID 1416942) is 3-ethyl-4-hydroxy-5-(phenyliminomethyl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-ethyl-4-hydroxy-5-(phenyliminomethyl)-1,3-thiazol-2-one?
The canonical SMILES for 3-ethyl-4-hydroxy-5-(phenyliminomethyl)-1,3-thiazol-2-one is CCn1c(O)c(/C=N/c2ccccc2)sc1=O.
What is the InChIKey of 3-ethyl-4-hydroxy-5-(phenyliminomethyl)-1,3-thiazol-2-one?
The InChIKey is LKZNKKODNIZHQT-MDWZMJQESA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-2-14-11(15)10(17-12(14)16)8-13-9-6-4-3-5-7-9/h3-8,15H,2H2,1H3/b13-8+.
What are the key properties of 3-ethyl-4-hydroxy-5-(phenyliminomethyl)-1,3-thiazol-2-one?
3-ethyl-4-hydroxy-5-(phenyliminomethyl)-1,3-thiazol-2-one has a molecular weight of 248.31 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-hydroxy-5-(phenyliminomethyl)-1,3-thiazol-2-one is sourced from PubChem (CID 1416942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).