3-(2-ethyl-5-methylphenyl)-2-methylimino-1,3-thiazolidin-4-one

C13H16N2OS — CID 142385733

IUPAC3-(2-ethyl-5-methylphenyl)-2-methylimino-1,3-thiazolidin-4-one
SMILESCCc1ccc(C)cc1N1C(=O)CS/C1=N\C
InChIInChI=1S/C13H16N2OS/c1-4-10-6-5-9(2)7-11(10)15-12(16)8-17-13(15)14-3/h5-7H,4,8H2,1-3H3/b14-13-
InChIKeyVCSUHOWRPGZGNN-YPKPFQOOSA-N
MW248.35 g/mol
LogP2.62
Rot. Bonds2

About 3-(2-ethyl-5-methylphenyl)-2-methylimino-1,3-thiazolidin-4-one

3-(2-ethyl-5-methylphenyl)-2-methylimino-1,3-thiazolidin-4-one (PubChem CID 142385733) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 3-(2-ethyl-5-methylphenyl)-2-methylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2-ethyl-5-methylphenyl)-2-methylimino-1,3-thiazolidin-4-one
PubChem CID142385733
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name3-(2-ethyl-5-methylphenyl)-2-methylimino-1,3-thiazolidin-4-one
SMILESCCc1ccc(C)cc1N1C(=O)CS/C1=N\C
InChIInChI=1S/C13H16N2OS/c1-4-10-6-5-9(2)7-11(10)15-12(16)8-17-13(15)14-3/h5-7H,4,8H2,1-3H3/b14-13-
InChIKeyVCSUHOWRPGZGNN-YPKPFQOOSA-N
XLogP2.62
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-[(E)-ethylidenehydrazinylidene]-3-(5-methyl-2-propan-2-ylphenyl)-1,3-thiazolidin-4-one
CID 166930789
(1Z)-1-[3-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-propan-2-ylurea
CID 170761976
2-imino-3-[5-methyl-2-(2-methylpropoxymethyl)phenyl]-1,3-thiazolidin-4-one
CID 178018157
[3-[2-(1-methoxyethyl)-5-methylphenyl]-4-oxo-1,3-thiazolidin-2-ylidene]urea
CID 163283598
(1Z)-1-[3-(2-ethyl-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-[3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]propyl]urea
CID 90442815
1-(2-ethyl-5-methylphenyl)pyrrolidine
CID 89060262
1-[3-(2-ethyl-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-[4-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]butyl]thiourea
CID 154023077
2-[(1-benzyl-2-oxoindol-3-ylidene)hydrazinylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidin-4-one
CID 1207198
1-[2-fluoro-4-(1-phenyl-1,2,4-triazol-3-yl)phenyl]-3-[3-(5-methyl-2-propylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]urea
CID 175366584
3-[2-[(2-chloro-2-fluoropropoxy)methyl]-5-methylphenyl]-2-imino-1,3-thiazolidin-4-one
CID 155581404
(3Z)-1-[4-(N-butylidenecarbamimidoyl)-2-hydroxyphenyl]-3-[3-(2-butyl-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]urea
CID 178018166
1-[2-fluoro-4-[1-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]phenyl]-3-[3-(5-methyl-2-propylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]urea
CID 175191782

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-5-methylphenyl)-2-methylimino-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2-ethyl-5-methylphenyl)-2-methylimino-1,3-thiazolidin-4-one (CID 142385733) is 3-(2-ethyl-5-methylphenyl)-2-methylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2-ethyl-5-methylphenyl)-2-methylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2-ethyl-5-methylphenyl)-2-methylimino-1,3-thiazolidin-4-one is CCc1ccc(C)cc1N1C(=O)CS/C1=N\C.
What is the InChIKey of 3-(2-ethyl-5-methylphenyl)-2-methylimino-1,3-thiazolidin-4-one?
The InChIKey is VCSUHOWRPGZGNN-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-4-10-6-5-9(2)7-11(10)15-12(16)8-17-13(15)14-3/h5-7H,4,8H2,1-3H3/b14-13-.
What are the key properties of 3-(2-ethyl-5-methylphenyl)-2-methylimino-1,3-thiazolidin-4-one?
3-(2-ethyl-5-methylphenyl)-2-methylimino-1,3-thiazolidin-4-one has a molecular weight of 248.35 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-5-methylphenyl)-2-methylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 142385733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).