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

C19H21N3O2S — CID 3773115

IUPAC2-(furan-2-ylmethylidenehydrazinylidene)-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one
SMILESCCCC1SC(=NN=Cc2ccco2)N(Cc2ccccc2C)C1=O
InChIInChI=1S/C19H21N3O2S/c1-3-7-17-18(23)22(13-15-9-5-4-8-14(15)2)19(25-17)21-20-12-16-10-6-11-24-16/h4-6,8-12,17H,3,7,13H2,1-2H3
InChIKeyBUDBDFURVCPBJC-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.22
Rot. Bonds6

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

2-(furan-2-ylmethylidenehydrazinylidene)-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one (PubChem CID 3773115) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-(furan-2-ylmethylidenehydrazinylidene)-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(furan-2-ylmethylidenehydrazinylidene)-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one
PubChem CID3773115
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name2-(furan-2-ylmethylidenehydrazinylidene)-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one
SMILESCCCC1SC(=NN=Cc2ccco2)N(Cc2ccccc2C)C1=O
InChIInChI=1S/C19H21N3O2S/c1-3-7-17-18(23)22(13-15-9-5-4-8-14(15)2)19(25-17)21-20-12-16-10-6-11-24-16/h4-6,8-12,17H,3,7,13H2,1-2H3
InChIKeyBUDBDFURVCPBJC-UHFFFAOYSA-N
XLogP4.22
TPSA58.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2-(furan-2-ylmethylidenehydrazinylidene)-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(furan-2-ylmethylidenehydrazinylidene)-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one (CID 3773115) is 2-(furan-2-ylmethylidenehydrazinylidene)-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(furan-2-ylmethylidenehydrazinylidene)-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(furan-2-ylmethylidenehydrazinylidene)-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one is CCCC1SC(=NN=Cc2ccco2)N(Cc2ccccc2C)C1=O.
What is the InChIKey of 2-(furan-2-ylmethylidenehydrazinylidene)-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one?
The InChIKey is BUDBDFURVCPBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-3-7-17-18(23)22(13-15-9-5-4-8-14(15)2)19(25-17)21-20-12-16-10-6-11-24-16/h4-6,8-12,17H,3,7,13H2,1-2H3.
What are the key properties of 2-(furan-2-ylmethylidenehydrazinylidene)-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one?
2-(furan-2-ylmethylidenehydrazinylidene)-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one has a molecular weight of 355.46 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylidenehydrazinylidene)-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 3773115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).