2-(cyclohexen-1-yl)-1-[4-(morpholine-4-carbonyl)-1,3-thiazolidin-3-yl]ethanone

C16H24N2O3S — CID 75420022

IUPAC2-(cyclohexen-1-yl)-1-[4-(morpholine-4-carbonyl)-1,3-thiazolidin-3-yl]ethanone
SMILESO=C(C1CSCN1C(=O)CC1=CCCCC1)N1CCOCC1
InChIInChI=1S/C16H24N2O3S/c19-15(10-13-4-2-1-3-5-13)18-12-22-11-14(18)16(20)17-6-8-21-9-7-17/h4,14H,1-3,5-12H2
InChIKeyIRQCXAKFPSUGFP-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.64
Rot. Bonds3

About 2-(cyclohexen-1-yl)-1-[4-(morpholine-4-carbonyl)-1,3-thiazolidin-3-yl]ethanone

2-(cyclohexen-1-yl)-1-[4-(morpholine-4-carbonyl)-1,3-thiazolidin-3-yl]ethanone (PubChem CID 75420022) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-[4-(morpholine-4-carbonyl)-1,3-thiazolidin-3-yl]ethanone.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-[4-(morpholine-4-carbonyl)-1,3-thiazolidin-3-yl]ethanone
PubChem CID75420022
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name2-(cyclohexen-1-yl)-1-[4-(morpholine-4-carbonyl)-1,3-thiazolidin-3-yl]ethanone
SMILESO=C(C1CSCN1C(=O)CC1=CCCCC1)N1CCOCC1
InChIInChI=1S/C16H24N2O3S/c19-15(10-13-4-2-1-3-5-13)18-12-22-11-14(18)16(20)17-6-8-21-9-7-17/h4,14H,1-3,5-12H2
InChIKeyIRQCXAKFPSUGFP-UHFFFAOYSA-N
XLogP1.64
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-[4-(morpholine-4-carbonyl)-1,3-thiazolidin-3-yl]ethanone?
The IUPAC name of 2-(cyclohexen-1-yl)-1-[4-(morpholine-4-carbonyl)-1,3-thiazolidin-3-yl]ethanone (CID 75420022) is 2-(cyclohexen-1-yl)-1-[4-(morpholine-4-carbonyl)-1,3-thiazolidin-3-yl]ethanone.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-[4-(morpholine-4-carbonyl)-1,3-thiazolidin-3-yl]ethanone?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-[4-(morpholine-4-carbonyl)-1,3-thiazolidin-3-yl]ethanone is O=C(C1CSCN1C(=O)CC1=CCCCC1)N1CCOCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-[4-(morpholine-4-carbonyl)-1,3-thiazolidin-3-yl]ethanone?
The InChIKey is IRQCXAKFPSUGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c19-15(10-13-4-2-1-3-5-13)18-12-22-11-14(18)16(20)17-6-8-21-9-7-17/h4,14H,1-3,5-12H2.
What are the key properties of 2-(cyclohexen-1-yl)-1-[4-(morpholine-4-carbonyl)-1,3-thiazolidin-3-yl]ethanone?
2-(cyclohexen-1-yl)-1-[4-(morpholine-4-carbonyl)-1,3-thiazolidin-3-yl]ethanone has a molecular weight of 324.45 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-[4-(morpholine-4-carbonyl)-1,3-thiazolidin-3-yl]ethanone is sourced from PubChem (CID 75420022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).