(2E)-5-[(4-butylphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one

C19H21N3OS — CID 135702273

IUPAC(2E)-5-[(4-butylphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
SMILESCCCCc1ccc(CC2S/C(=N/c3ccccn3)NC2=O)cc1
InChIInChI=1S/C19H21N3OS/c1-2-3-6-14-8-10-15(11-9-14)13-16-18(23)22-19(24-16)21-17-7-4-5-12-20-17/h4-5,7-12,16H,2-3,6,13H2,1H3,(H,20,21,22,23)
InChIKeyDVWYCIPHVCCXGS-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.89
Rot. Bonds6

About (2E)-5-[(4-butylphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one

(2E)-5-[(4-butylphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one (PubChem CID 135702273) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is (2E)-5-[(4-butylphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-5-[(4-butylphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
PubChem CID135702273
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name(2E)-5-[(4-butylphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
SMILESCCCCc1ccc(CC2S/C(=N/c3ccccn3)NC2=O)cc1
InChIInChI=1S/C19H21N3OS/c1-2-3-6-14-8-10-15(11-9-14)13-16-18(23)22-19(24-16)21-17-7-4-5-12-20-17/h4-5,7-12,16H,2-3,6,13H2,1H3,(H,20,21,22,23)
InChIKeyDVWYCIPHVCCXGS-UHFFFAOYSA-N
XLogP3.89
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.89
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

(2E)-5-[(4-methylphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 135495445
(2E,5R)-5-[(4-ethoxyphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 135764088
(2E,5R)-5-[(4-chlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 135764085
5-[(4-butylphenyl)methyl]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
CID 135499121
(5S)-5-[(4-bromophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 136851170
(5R)-5-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 136717082
(2E)-5-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 135675530
5-[(4-butylphenyl)methyl]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 135707373
(5R)-5-[(3-nitrophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 136678569
(5R)-5-[(2,5-dichlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 136773710
(2E,5R)-5-benzyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
CID 135665687
ethyl 4-[[2-(4-butylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]methyl]benzoate
CID 135501558

Frequently Asked Questions

What is the IUPAC name of (2E)-5-[(4-butylphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-5-[(4-butylphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one (CID 135702273) is (2E)-5-[(4-butylphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-5-[(4-butylphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-5-[(4-butylphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one is CCCCc1ccc(CC2S/C(=N/c3ccccn3)NC2=O)cc1.
What is the InChIKey of (2E)-5-[(4-butylphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The InChIKey is DVWYCIPHVCCXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-2-3-6-14-8-10-15(11-9-14)13-16-18(23)22-19(24-16)21-17-7-4-5-12-20-17/h4-5,7-12,16H,2-3,6,13H2,1H3,(H,20,21,22,23).
What are the key properties of (2E)-5-[(4-butylphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
(2E)-5-[(4-butylphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one has a molecular weight of 339.46 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-[(4-butylphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135702273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).