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

C12H22N2O3S — CID 65114030

IUPACN-(2-ethyl-2-hydroxybutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESCCC(O)(CC)CNC(=O)CCN1CCSC1=O
InChIInChI=1S/C12H22N2O3S/c1-3-12(17,4-2)9-13-10(15)5-6-14-7-8-18-11(14)16/h17H,3-9H2,1-2H3,(H,13,15)
InChIKeyMWPNKEXOIRSXDL-UHFFFAOYSA-N
MW274.39 g/mol
LogP1.21
Rot. Bonds7

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

N-(2-ethyl-2-hydroxybutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 65114030) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID65114030
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESCCC(O)(CC)CNC(=O)CCN1CCSC1=O
InChIInChI=1S/C12H22N2O3S/c1-3-12(17,4-2)9-13-10(15)5-6-14-7-8-18-11(14)16/h17H,3-9H2,1-2H3,(H,13,15)
InChIKeyMWPNKEXOIRSXDL-UHFFFAOYSA-N
XLogP1.21
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-ethyl-2-hydroxybutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 65114030) is N-(2-ethyl-2-hydroxybutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is CCC(O)(CC)CNC(=O)CCN1CCSC1=O.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is MWPNKEXOIRSXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-3-12(17,4-2)9-13-10(15)5-6-14-7-8-18-11(14)16/h17H,3-9H2,1-2H3,(H,13,15).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
N-(2-ethyl-2-hydroxybutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 274.39 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 65114030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).