(2E)-3-benzyl-2-(pentan-3-ylidenehydrazinylidene)-1,3-thiazolidin-4-one

C15H19N3OS — CID 118714706

IUPAC(2E)-3-benzyl-2-(pentan-3-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESCCC(CC)=N/N=C1/SCC(=O)N1Cc1ccccc1
InChIInChI=1S/C15H19N3OS/c1-3-13(4-2)16-17-15-18(14(19)11-20-15)10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3/b17-15+
InChIKeyGRVNTTWWDNSUFN-BMRADRMJSA-N
MW289.40 g/mol
LogP3.29
Rot. Bonds5

About (2E)-3-benzyl-2-(pentan-3-ylidenehydrazinylidene)-1,3-thiazolidin-4-one

(2E)-3-benzyl-2-(pentan-3-ylidenehydrazinylidene)-1,3-thiazolidin-4-one (PubChem CID 118714706) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is (2E)-3-benzyl-2-(pentan-3-ylidenehydrazinylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-3-benzyl-2-(pentan-3-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
PubChem CID118714706
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name(2E)-3-benzyl-2-(pentan-3-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESCCC(CC)=N/N=C1/SCC(=O)N1Cc1ccccc1
InChIInChI=1S/C15H19N3OS/c1-3-13(4-2)16-17-15-18(14(19)11-20-15)10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3/b17-15+
InChIKeyGRVNTTWWDNSUFN-BMRADRMJSA-N
XLogP3.29
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.29
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 (2E)-3-benzyl-2-(pentan-3-ylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-3-benzyl-2-(pentan-3-ylidenehydrazinylidene)-1,3-thiazolidin-4-one (CID 118714706) is (2E)-3-benzyl-2-(pentan-3-ylidenehydrazinylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-3-benzyl-2-(pentan-3-ylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-3-benzyl-2-(pentan-3-ylidenehydrazinylidene)-1,3-thiazolidin-4-one is CCC(CC)=N/N=C1/SCC(=O)N1Cc1ccccc1.
What is the InChIKey of (2E)-3-benzyl-2-(pentan-3-ylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The InChIKey is GRVNTTWWDNSUFN-BMRADRMJSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-13(4-2)16-17-15-18(14(19)11-20-15)10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3/b17-15+.
What are the key properties of (2E)-3-benzyl-2-(pentan-3-ylidenehydrazinylidene)-1,3-thiazolidin-4-one?
(2E)-3-benzyl-2-(pentan-3-ylidenehydrazinylidene)-1,3-thiazolidin-4-one has a molecular weight of 289.40 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-benzyl-2-(pentan-3-ylidenehydrazinylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 118714706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).