5-cyclohexyl-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one

C15H17FN2OS — CID 135989258

IUPAC5-cyclohexyl-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccccc2F)SC1C1CCCCC1
InChIInChI=1S/C15H17FN2OS/c16-11-8-4-5-9-12(11)17-15-18-14(19)13(20-15)10-6-2-1-3-7-10/h4-5,8-10,13H,1-3,6-7H2,(H,17,18,19)
InChIKeyLNTPIJKTSOLDCO-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.63
Rot. Bonds2

About 5-cyclohexyl-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one

5-cyclohexyl-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135989258) has the molecular formula C15H17FN2OS and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-cyclohexyl-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-cyclohexyl-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one
PubChem CID135989258
Molecular FormulaC15H17FN2OS
Molecular Weight292.38 g/mol
Exact Mass292.10
IUPAC Name5-cyclohexyl-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccccc2F)SC1C1CCCCC1
InChIInChI=1S/C15H17FN2OS/c16-11-8-4-5-9-12(11)17-15-18-14(19)13(20-15)10-6-2-1-3-7-10/h4-5,8-10,13H,1-3,6-7H2,(H,17,18,19)
InChIKeyLNTPIJKTSOLDCO-UHFFFAOYSA-N
XLogP3.63
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 5-cyclohexyl-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one (CID 135989258) is 5-cyclohexyl-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-cyclohexyl-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-cyclohexyl-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one is O=C1N/C(=N\c2ccccc2F)SC1C1CCCCC1.
What is the InChIKey of 5-cyclohexyl-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is LNTPIJKTSOLDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2OS/c16-11-8-4-5-9-12(11)17-15-18-14(19)13(20-15)10-6-2-1-3-7-10/h4-5,8-10,13H,1-3,6-7H2,(H,17,18,19).
What are the key properties of 5-cyclohexyl-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one?
5-cyclohexyl-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 292.38 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135989258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).