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

C12H22N2O2S — CID 115612855

IUPACN-(2-ethylbutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESCCC(CC)CNC(=O)CCN1CCSC1=O
InChIInChI=1S/C12H22N2O2S/c1-3-10(4-2)9-13-11(15)5-6-14-7-8-17-12(14)16/h10H,3-9H2,1-2H3,(H,13,15)
InChIKeyFKBGAQZYIBHNOS-UHFFFAOYSA-N
MW258.39 g/mol
LogP2.10
Rot. Bonds7

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

N-(2-ethylbutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 115612855) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-(2-ethylbutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID115612855
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC NameN-(2-ethylbutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESCCC(CC)CNC(=O)CCN1CCSC1=O
InChIInChI=1S/C12H22N2O2S/c1-3-10(4-2)9-13-11(15)5-6-14-7-8-17-12(14)16/h10H,3-9H2,1-2H3,(H,13,15)
InChIKeyFKBGAQZYIBHNOS-UHFFFAOYSA-N
XLogP2.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 70984812
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CID 71148685
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CID 87606747
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CID 123280376
CID 123280376
CID 134506978
CID 134506978
CID 135303696
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CID 139517046
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CID 139517089
CID 139517089

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-(2-ethylbutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 115612855) is N-(2-ethylbutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-(2-ethylbutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-(2-ethylbutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is CCC(CC)CNC(=O)CCN1CCSC1=O.
What is the InChIKey of N-(2-ethylbutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is FKBGAQZYIBHNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-3-10(4-2)9-13-11(15)5-6-14-7-8-17-12(14)16/h10H,3-9H2,1-2H3,(H,13,15).
What are the key properties of N-(2-ethylbutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
N-(2-ethylbutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 258.39 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 115612855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).