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

C13H15N3OS — CID 118714703

IUPAC(2E)-3-benzyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESCC(C)=N/N=C1/SCC(=O)N1Cc1ccccc1
InChIInChI=1S/C13H15N3OS/c1-10(2)14-15-13-16(12(17)9-18-13)8-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3/b15-13+
InChIKeyQFTJYGQYSJMHRV-FYWRMAATSA-N
MW261.35 g/mol
LogP2.51
Rot. Bonds3

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

(2E)-3-benzyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one (PubChem CID 118714703) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is (2E)-3-benzyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-3-benzyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
PubChem CID118714703
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name(2E)-3-benzyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESCC(C)=N/N=C1/SCC(=O)N1Cc1ccccc1
InChIInChI=1S/C13H15N3OS/c1-10(2)14-15-13-16(12(17)9-18-13)8-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3/b15-13+
InChIKeyQFTJYGQYSJMHRV-FYWRMAATSA-N
XLogP2.51
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.51
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-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-3-benzyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one (CID 118714703) is (2E)-3-benzyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-3-benzyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-3-benzyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one is CC(C)=N/N=C1/SCC(=O)N1Cc1ccccc1.
What is the InChIKey of (2E)-3-benzyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The InChIKey is QFTJYGQYSJMHRV-FYWRMAATSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-10(2)14-15-13-16(12(17)9-18-13)8-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3/b15-13+.
What are the key properties of (2E)-3-benzyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one?
(2E)-3-benzyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one has a molecular weight of 261.35 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-benzyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 118714703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).