N-cyclohexyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

C12H20N2O2S — CID 60681979

IUPACN-cyclohexyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESO=C(CCN1CCSC1=O)NC1CCCCC1
InChIInChI=1S/C12H20N2O2S/c15-11(13-10-4-2-1-3-5-10)6-7-14-8-9-17-12(14)16/h10H,1-9H2,(H,13,15)
InChIKeyUOPPMYJUKOIKFY-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.99
Rot. Bonds4

About N-cyclohexyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

N-cyclohexyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 60681979) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-cyclohexyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID60681979
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-cyclohexyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESO=C(CCN1CCSC1=O)NC1CCCCC1
InChIInChI=1S/C12H20N2O2S/c15-11(13-10-4-2-1-3-5-10)6-7-14-8-9-17-12(14)16/h10H,1-9H2,(H,13,15)
InChIKeyUOPPMYJUKOIKFY-UHFFFAOYSA-N
XLogP1.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-cyclohexyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 60681979) is N-cyclohexyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-cyclohexyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-cyclohexyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is O=C(CCN1CCSC1=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is UOPPMYJUKOIKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c15-11(13-10-4-2-1-3-5-10)6-7-14-8-9-17-12(14)16/h10H,1-9H2,(H,13,15).
What are the key properties of N-cyclohexyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
N-cyclohexyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 256.37 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 60681979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).