3-[2-(1-ethoxyethyl)-5-methylphenyl]-2-imino-1,3-thiazolidin-4-one

C14H18N2O2S — CID 155581450

IUPAC3-[2-(1-ethoxyethyl)-5-methylphenyl]-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SCC(=O)N1c1cc(C)ccc1C(C)OCC
InChIInChI=1S/C14H18N2O2S/c1-4-18-10(3)11-6-5-9(2)7-12(11)16-13(17)8-19-14(16)15/h5-7,10,15H,4,8H2,1-3H3/b15-14-
InChIKeyKJXBYRJOQUQLON-PFONDFGASA-N
MW278.38 g/mol
LogP3.11
Rot. Bonds4

About 3-[2-(1-ethoxyethyl)-5-methylphenyl]-2-imino-1,3-thiazolidin-4-one

3-[2-(1-ethoxyethyl)-5-methylphenyl]-2-imino-1,3-thiazolidin-4-one (PubChem CID 155581450) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 3-[2-(1-ethoxyethyl)-5-methylphenyl]-2-imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[2-(1-ethoxyethyl)-5-methylphenyl]-2-imino-1,3-thiazolidin-4-one
PubChem CID155581450
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name3-[2-(1-ethoxyethyl)-5-methylphenyl]-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SCC(=O)N1c1cc(C)ccc1C(C)OCC
InChIInChI=1S/C14H18N2O2S/c1-4-18-10(3)11-6-5-9(2)7-12(11)16-13(17)8-19-14(16)15/h5-7,10,15H,4,8H2,1-3H3/b15-14-
InChIKeyKJXBYRJOQUQLON-PFONDFGASA-N
XLogP3.11
TPSA53.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-imino-3-(5-methyl-2-propan-2-ylphenyl)-1,3-thiazolidin-4-one
CID 90404131
2-imino-3-[2-(1-methoxyethyl)-4-methylphenyl]-1,3-thiazolidin-4-one
CID 155581327
2-imino-3-[5-methyl-2-(2-methylpropoxymethyl)phenyl]-1,3-thiazolidin-4-one
CID 178018157
3-[2-[(2-chloro-2-fluoropropoxy)methyl]-5-methylphenyl]-2-imino-1,3-thiazolidin-4-one
CID 155581404
ethyl 4-(2-imino-4-oxo-1,3-thiazolidin-3-yl)benzoate
CID 622006
[3-[2-(1-methoxyethyl)-5-methylphenyl]-4-oxo-1,3-thiazolidin-2-ylidene]urea
CID 163283598
2-imino-3-[5-methyl-2-[2-(2-methylphenyl)sulfanylprop-2-enoxymethyl]phenyl]-1,3-thiazolidin-4-one
CID 155580988
2-imino-3-(5-methoxy-2-propylphenyl)-1,3-thiazolidin-4-one
CID 154675697
3-[2-(1,3-benzothiazol-2-ylmethoxymethyl)-5-methylphenyl]-2-imino-1,3-thiazolidin-4-one
CID 155580514
3-(2-butan-2-yl-5-methylphenyl)-1,3-thiazolidin-2-imine
CID 176887630
(1Z)-1-[3-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-propan-2-ylurea
CID 170761976
(2Z)-2-[(E)-ethylidenehydrazinylidene]-3-(5-methyl-2-propan-2-ylphenyl)-1,3-thiazolidin-4-one
CID 166930789

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-ethoxyethyl)-5-methylphenyl]-2-imino-1,3-thiazolidin-4-one?
The IUPAC name of 3-[2-(1-ethoxyethyl)-5-methylphenyl]-2-imino-1,3-thiazolidin-4-one (CID 155581450) is 3-[2-(1-ethoxyethyl)-5-methylphenyl]-2-imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[2-(1-ethoxyethyl)-5-methylphenyl]-2-imino-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[2-(1-ethoxyethyl)-5-methylphenyl]-2-imino-1,3-thiazolidin-4-one is [H]/N=C1\SCC(=O)N1c1cc(C)ccc1C(C)OCC.
What is the InChIKey of 3-[2-(1-ethoxyethyl)-5-methylphenyl]-2-imino-1,3-thiazolidin-4-one?
The InChIKey is KJXBYRJOQUQLON-PFONDFGASA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-4-18-10(3)11-6-5-9(2)7-12(11)16-13(17)8-19-14(16)15/h5-7,10,15H,4,8H2,1-3H3/b15-14-.
What are the key properties of 3-[2-(1-ethoxyethyl)-5-methylphenyl]-2-imino-1,3-thiazolidin-4-one?
3-[2-(1-ethoxyethyl)-5-methylphenyl]-2-imino-1,3-thiazolidin-4-one has a molecular weight of 278.38 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-ethoxyethyl)-5-methylphenyl]-2-imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 155581450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).