2-(4-butylphenyl)imino-5-methyl-1,3-thiazolidin-4-one

C14H18N2OS — CID 135523652

IUPAC2-(4-butylphenyl)imino-5-methyl-1,3-thiazolidin-4-one
SMILESCCCCc1ccc(/N=C2/NC(=O)C(C)S2)cc1
InChIInChI=1S/C14H18N2OS/c1-3-4-5-11-6-8-12(9-7-11)15-14-16-13(17)10(2)18-14/h6-10H,3-5H2,1-2H3,(H,15,16,17)
InChIKeyYUHQSIAORQRCFD-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.27
Rot. Bonds4

About 2-(4-butylphenyl)imino-5-methyl-1,3-thiazolidin-4-one

2-(4-butylphenyl)imino-5-methyl-1,3-thiazolidin-4-one (PubChem CID 135523652) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-(4-butylphenyl)imino-5-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-butylphenyl)imino-5-methyl-1,3-thiazolidin-4-one
PubChem CID135523652
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-(4-butylphenyl)imino-5-methyl-1,3-thiazolidin-4-one
SMILESCCCCc1ccc(/N=C2/NC(=O)C(C)S2)cc1
InChIInChI=1S/C14H18N2OS/c1-3-4-5-11-6-8-12(9-7-11)15-14-16-13(17)10(2)18-14/h6-10H,3-5H2,1-2H3,(H,15,16,17)
InChIKeyYUHQSIAORQRCFD-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
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

5-[(4-butylphenyl)methyl]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 135707373
ethyl 4-[[2-(4-butylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]methyl]benzoate
CID 135501558
(2E)-5-[(4-butylphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 135702273
5-[(4-butylphenyl)methyl]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
CID 135499121
5-butyl-2-pyridin-4-ylimino-1,3-thiazolidin-4-one
CID 137292348
(5E)-2-(4-butylphenyl)imino-5-(1H-pyrrol-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 135440894
2-(4-butylphenyl)imino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135483163
5-[(4-chlorophenyl)methyl]-2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one
CID 135707402
(5E)-2-(4-butylphenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 135404496
2-(4-butylphenyl)imino-5-[(2-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135483142
(5Z)-2-(4-butylphenyl)imino-5-[(3-chlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135834729
5-ethyl-2-phenylimino-1,3-thiazolidin-4-one
CID 135523619

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)imino-5-methyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-butylphenyl)imino-5-methyl-1,3-thiazolidin-4-one (CID 135523652) is 2-(4-butylphenyl)imino-5-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-butylphenyl)imino-5-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-butylphenyl)imino-5-methyl-1,3-thiazolidin-4-one is CCCCc1ccc(/N=C2/NC(=O)C(C)S2)cc1.
What is the InChIKey of 2-(4-butylphenyl)imino-5-methyl-1,3-thiazolidin-4-one?
The InChIKey is YUHQSIAORQRCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-3-4-5-11-6-8-12(9-7-11)15-14-16-13(17)10(2)18-14/h6-10H,3-5H2,1-2H3,(H,15,16,17).
What are the key properties of 2-(4-butylphenyl)imino-5-methyl-1,3-thiazolidin-4-one?
2-(4-butylphenyl)imino-5-methyl-1,3-thiazolidin-4-one has a molecular weight of 262.38 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)imino-5-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135523652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).