(5R)-5-ethyl-2-(2-phenylpropylimino)-1,3-thiazolidin-4-one

C14H18N2OS — CID 138544986

IUPAC(5R)-5-ethyl-2-(2-phenylpropylimino)-1,3-thiazolidin-4-one
SMILESCC[C@H]1S/C(=N\CC(C)c2ccccc2)NC1=O
InChIInChI=1S/C14H18N2OS/c1-3-12-13(17)16-14(18-12)15-9-10(2)11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3,(H,15,16,17)/t10?,12-/m1/s1
InChIKeyKMJISCSUVGMRLG-TVKKRMFBSA-N
MW262.38 g/mol
LogP2.79
Rot. Bonds4

About (5R)-5-ethyl-2-(2-phenylpropylimino)-1,3-thiazolidin-4-one

(5R)-5-ethyl-2-(2-phenylpropylimino)-1,3-thiazolidin-4-one (PubChem CID 138544986) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is (5R)-5-ethyl-2-(2-phenylpropylimino)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5R)-5-ethyl-2-(2-phenylpropylimino)-1,3-thiazolidin-4-one
PubChem CID138544986
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name(5R)-5-ethyl-2-(2-phenylpropylimino)-1,3-thiazolidin-4-one
SMILESCC[C@H]1S/C(=N\CC(C)c2ccccc2)NC1=O
InChIInChI=1S/C14H18N2OS/c1-3-12-13(17)16-14(18-12)15-9-10(2)11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3,(H,15,16,17)/t10?,12-/m1/s1
InChIKeyKMJISCSUVGMRLG-TVKKRMFBSA-N
XLogP2.79
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.79
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
5-ethyl-2-phenylimino-1,3-thiazolidin-4-one
CID 135523619
5-ethyl-2-[(Z)-2-phenylsulfanylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136871961
2-benzylimino-5-hexyl-1,3-thiazolidin-4-one
CID 137292329
4,5-dimethyl-N-(2-phenylpropyl)-1,3-thiazinan-2-imine
CID 136948902
2-[(5R)-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135692217
(NE)-N-(5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)naphthalene-1-sulfinamide
CID 145316942
5-ethyl-2-(naphthalen-1-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135447174
(2E,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one
CID 135750886
N-(4-fluorophenyl)-2-[(5S)-4-oxo-2-[(1S)-1-phenylethyl]imino-1,3-thiazolidin-5-yl]acetamide
CID 135691402
N-(4-methylphenyl)-2-[(5R)-4-oxo-2-[(1R)-1-phenylethyl]imino-1,3-thiazolidin-5-yl]acetamide
CID 135691400
N-(3-chloro-4-methylphenyl)-2-[(5R)-2-(2-methylpropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135724972

Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethyl-2-(2-phenylpropylimino)-1,3-thiazolidin-4-one?
The IUPAC name of (5R)-5-ethyl-2-(2-phenylpropylimino)-1,3-thiazolidin-4-one (CID 138544986) is (5R)-5-ethyl-2-(2-phenylpropylimino)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5R)-5-ethyl-2-(2-phenylpropylimino)-1,3-thiazolidin-4-one?
The canonical SMILES for (5R)-5-ethyl-2-(2-phenylpropylimino)-1,3-thiazolidin-4-one is CC[C@H]1S/C(=N\CC(C)c2ccccc2)NC1=O.
What is the InChIKey of (5R)-5-ethyl-2-(2-phenylpropylimino)-1,3-thiazolidin-4-one?
The InChIKey is KMJISCSUVGMRLG-TVKKRMFBSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-3-12-13(17)16-14(18-12)15-9-10(2)11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3,(H,15,16,17)/t10?,12-/m1/s1.
What are the key properties of (5R)-5-ethyl-2-(2-phenylpropylimino)-1,3-thiazolidin-4-one?
(5R)-5-ethyl-2-(2-phenylpropylimino)-1,3-thiazolidin-4-one has a molecular weight of 262.38 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethyl-2-(2-phenylpropylimino)-1,3-thiazolidin-4-one is sourced from PubChem (CID 138544986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).