5-ethyl-2-phenylimino-1,3-thiazolidin-4-one

C11H12N2OS — CID 135523619

IUPAC5-ethyl-2-phenylimino-1,3-thiazolidin-4-one
SMILESCCC1S/C(=N\c2ccccc2)NC1=O
InChIInChI=1S/C11H12N2OS/c1-2-9-10(14)13-11(15-9)12-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,12,13,14)
InChIKeyHVYWOMFMDUXLSS-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.32
Rot. Bonds2

About 5-ethyl-2-phenylimino-1,3-thiazolidin-4-one

5-ethyl-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 135523619) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 5-ethyl-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID135523619
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name5-ethyl-2-phenylimino-1,3-thiazolidin-4-one
SMILESCCC1S/C(=N\c2ccccc2)NC1=O
InChIInChI=1S/C11H12N2OS/c1-2-9-10(14)13-11(15-9)12-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,12,13,14)
InChIKeyHVYWOMFMDUXLSS-UHFFFAOYSA-N
XLogP2.32
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-benzylimino-5-ethyl-1,3-thiazolidin-4-one
CID 137289996
(5S)-5-benzyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135760231
5-[(3-methylphenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one
CID 135414145
(5R)-5-ethyl-2-(2-phenylpropylimino)-1,3-thiazolidin-4-one
CID 138544986
(5R)-5-[(2,5-dichlorophenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one
CID 135665703
N-cyclopropyl-2-[(5R)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 135795117
N-(4-ethoxyphenyl)-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide
CID 135456969
(5R)-2-(4-ethoxyphenyl)imino-5-phenacyl-1,3-thiazolidin-4-one
CID 135856685
2-[(5S)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135813235
N-(2-aminophenyl)-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide
CID 135989803
(5S)-2-phenylimino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135555574
N-(4-chlorophenyl)-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide
CID 135462150

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of 5-ethyl-2-phenylimino-1,3-thiazolidin-4-one (CID 135523619) is 5-ethyl-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-ethyl-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-ethyl-2-phenylimino-1,3-thiazolidin-4-one is CCC1S/C(=N\c2ccccc2)NC1=O.
What is the InChIKey of 5-ethyl-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is HVYWOMFMDUXLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-2-9-10(14)13-11(15-9)12-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,12,13,14).
What are the key properties of 5-ethyl-2-phenylimino-1,3-thiazolidin-4-one?
5-ethyl-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 220.30 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135523619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).