5-butyl-3-[(2-methylphenyl)methyl]-2-(naphthalen-1-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one

C26H27N3OS — CID 3692288

IUPAC5-butyl-3-[(2-methylphenyl)methyl]-2-(naphthalen-1-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESCCCCC1SC(=NN=Cc2cccc3ccccc23)N(Cc2ccccc2C)C1=O
InChIInChI=1S/C26H27N3OS/c1-3-4-16-24-25(30)29(18-22-12-6-5-10-19(22)2)26(31-24)28-27-17-21-14-9-13-20-11-7-8-15-23(20)21/h5-15,17,24H,3-4,16,18H2,1-2H3
InChIKeyQPSMUHWMGMTHMJ-UHFFFAOYSA-N
MW429.59 g/mol
LogP6.17
Rot. Bonds7

About 5-butyl-3-[(2-methylphenyl)methyl]-2-(naphthalen-1-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one

5-butyl-3-[(2-methylphenyl)methyl]-2-(naphthalen-1-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one (PubChem CID 3692288) has the molecular formula C26H27N3OS and a molecular weight of 429.59 g/mol. Its IUPAC name is 5-butyl-3-[(2-methylphenyl)methyl]-2-(naphthalen-1-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-butyl-3-[(2-methylphenyl)methyl]-2-(naphthalen-1-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
PubChem CID3692288
Molecular FormulaC26H27N3OS
Molecular Weight429.59 g/mol
Exact Mass429.19
IUPAC Name5-butyl-3-[(2-methylphenyl)methyl]-2-(naphthalen-1-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESCCCCC1SC(=NN=Cc2cccc3ccccc23)N(Cc2ccccc2C)C1=O
InChIInChI=1S/C26H27N3OS/c1-3-4-16-24-25(30)29(18-22-12-6-5-10-19(22)2)26(31-24)28-27-17-21-14-9-13-20-11-7-8-15-23(20)21/h5-15,17,24H,3-4,16,18H2,1-2H3
InChIKeyQPSMUHWMGMTHMJ-UHFFFAOYSA-N
XLogP6.17
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.59
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-[(2-methylphenyl)methyl]-2-(naphthalen-1-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The IUPAC name of 5-butyl-3-[(2-methylphenyl)methyl]-2-(naphthalen-1-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one (CID 3692288) is 5-butyl-3-[(2-methylphenyl)methyl]-2-(naphthalen-1-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-butyl-3-[(2-methylphenyl)methyl]-2-(naphthalen-1-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for 5-butyl-3-[(2-methylphenyl)methyl]-2-(naphthalen-1-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one is CCCCC1SC(=NN=Cc2cccc3ccccc23)N(Cc2ccccc2C)C1=O.
What is the InChIKey of 5-butyl-3-[(2-methylphenyl)methyl]-2-(naphthalen-1-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The InChIKey is QPSMUHWMGMTHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3OS/c1-3-4-16-24-25(30)29(18-22-12-6-5-10-19(22)2)26(31-24)28-27-17-21-14-9-13-20-11-7-8-15-23(20)21/h5-15,17,24H,3-4,16,18H2,1-2H3.
What are the key properties of 5-butyl-3-[(2-methylphenyl)methyl]-2-(naphthalen-1-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one?
5-butyl-3-[(2-methylphenyl)methyl]-2-(naphthalen-1-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one has a molecular weight of 429.59 g/mol, XLogP of 6.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-[(2-methylphenyl)methyl]-2-(naphthalen-1-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3692288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).