(2E)-3-benzyl-2-[(Z)-(2-methylcyclopentylidene)hydrazinylidene]-1,3-thiazolidin-4-one

C16H19N3OS — CID 118713898

IUPAC(2E)-3-benzyl-2-[(Z)-(2-methylcyclopentylidene)hydrazinylidene]-1,3-thiazolidin-4-one
SMILESCC1CCC/C1=N/N=C1/SCC(=O)N1Cc1ccccc1
InChIInChI=1S/C16H19N3OS/c1-12-6-5-9-14(12)17-18-16-19(15(20)11-21-16)10-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3/b17-14-,18-16+
InChIKeyKUHYXWHMTGRSPM-PUZBGTOPSA-N
MW301.41 g/mol
LogP3.29
Rot. Bonds3

About (2E)-3-benzyl-2-[(Z)-(2-methylcyclopentylidene)hydrazinylidene]-1,3-thiazolidin-4-one

(2E)-3-benzyl-2-[(Z)-(2-methylcyclopentylidene)hydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 118713898) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is (2E)-3-benzyl-2-[(Z)-(2-methylcyclopentylidene)hydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-3-benzyl-2-[(Z)-(2-methylcyclopentylidene)hydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID118713898
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC Name(2E)-3-benzyl-2-[(Z)-(2-methylcyclopentylidene)hydrazinylidene]-1,3-thiazolidin-4-one
SMILESCC1CCC/C1=N/N=C1/SCC(=O)N1Cc1ccccc1
InChIInChI=1S/C16H19N3OS/c1-12-6-5-9-14(12)17-18-16-19(15(20)11-21-16)10-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3/b17-14-,18-16+
InChIKeyKUHYXWHMTGRSPM-PUZBGTOPSA-N
XLogP3.29
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
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-[(Z)-(2-methylcyclopentylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-3-benzyl-2-[(Z)-(2-methylcyclopentylidene)hydrazinylidene]-1,3-thiazolidin-4-one (CID 118713898) is (2E)-3-benzyl-2-[(Z)-(2-methylcyclopentylidene)hydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-3-benzyl-2-[(Z)-(2-methylcyclopentylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-3-benzyl-2-[(Z)-(2-methylcyclopentylidene)hydrazinylidene]-1,3-thiazolidin-4-one is CC1CCC/C1=N/N=C1/SCC(=O)N1Cc1ccccc1.
What is the InChIKey of (2E)-3-benzyl-2-[(Z)-(2-methylcyclopentylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is KUHYXWHMTGRSPM-PUZBGTOPSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-12-6-5-9-14(12)17-18-16-19(15(20)11-21-16)10-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3/b17-14-,18-16+.
What are the key properties of (2E)-3-benzyl-2-[(Z)-(2-methylcyclopentylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-3-benzyl-2-[(Z)-(2-methylcyclopentylidene)hydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 301.41 g/mol, XLogP of 3.29, 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-[(Z)-(2-methylcyclopentylidene)hydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 118713898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).