(2Z)-2-(cyclohexylidenehydrazinylidene)-5-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one

C17H18FN3O2S — CID 155544540

IUPAC(2Z)-2-(cyclohexylidenehydrazinylidene)-5-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one
SMILESO=C(CC1S/C(=N\N=C2CCCCC2)NC1=O)c1ccc(F)cc1
InChIInChI=1S/C17H18FN3O2S/c18-12-8-6-11(7-9-12)14(22)10-15-16(23)19-17(24-15)21-20-13-4-2-1-3-5-13/h6-9,15H,1-5,10H2,(H,19,21,23)
InChIKeyORWYQUABVSWBLJ-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.31
Rot. Bonds4

About (2Z)-2-(cyclohexylidenehydrazinylidene)-5-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one

(2Z)-2-(cyclohexylidenehydrazinylidene)-5-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one (PubChem CID 155544540) has the molecular formula C17H18FN3O2S and a molecular weight of 347.42 g/mol. Its IUPAC name is (2Z)-2-(cyclohexylidenehydrazinylidene)-5-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-(cyclohexylidenehydrazinylidene)-5-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one
PubChem CID155544540
Molecular FormulaC17H18FN3O2S
Molecular Weight347.42 g/mol
Exact Mass347.11
IUPAC Name(2Z)-2-(cyclohexylidenehydrazinylidene)-5-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one
SMILESO=C(CC1S/C(=N\N=C2CCCCC2)NC1=O)c1ccc(F)cc1
InChIInChI=1S/C17H18FN3O2S/c18-12-8-6-11(7-9-12)14(22)10-15-16(23)19-17(24-15)21-20-13-4-2-1-3-5-13/h6-9,15H,1-5,10H2,(H,19,21,23)
InChIKeyORWYQUABVSWBLJ-UHFFFAOYSA-N
XLogP3.31
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
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 (2Z)-2-(cyclohexylidenehydrazinylidene)-5-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-(cyclohexylidenehydrazinylidene)-5-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one (CID 155544540) is (2Z)-2-(cyclohexylidenehydrazinylidene)-5-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-(cyclohexylidenehydrazinylidene)-5-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-(cyclohexylidenehydrazinylidene)-5-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one is O=C(CC1S/C(=N\N=C2CCCCC2)NC1=O)c1ccc(F)cc1.
What is the InChIKey of (2Z)-2-(cyclohexylidenehydrazinylidene)-5-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one?
The InChIKey is ORWYQUABVSWBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2S/c18-12-8-6-11(7-9-12)14(22)10-15-16(23)19-17(24-15)21-20-13-4-2-1-3-5-13/h6-9,15H,1-5,10H2,(H,19,21,23).
What are the key properties of (2Z)-2-(cyclohexylidenehydrazinylidene)-5-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one?
(2Z)-2-(cyclohexylidenehydrazinylidene)-5-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one has a molecular weight of 347.42 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(cyclohexylidenehydrazinylidene)-5-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 155544540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).