3-(2-propyl-1,3-thiazolidin-3-yl)propanamide

C9H18N2OS — CID 3079262

IUPAC3-(2-propyl-1,3-thiazolidin-3-yl)propanamide
SMILESCCCC1SCCN1CCC(N)=O
InChIInChI=1S/C9H18N2OS/c1-2-3-9-11(6-7-13-9)5-4-8(10)12/h9H,2-7H2,1H3,(H2,10,12)
InChIKeyGSPYFGAIWDRMBG-UHFFFAOYSA-N
MW202.32 g/mol
LogP1.04
Rot. Bonds5

About 3-(2-propyl-1,3-thiazolidin-3-yl)propanamide

3-(2-propyl-1,3-thiazolidin-3-yl)propanamide (PubChem CID 3079262) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 3-(2-propyl-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound Name3-(2-propyl-1,3-thiazolidin-3-yl)propanamide
PubChem CID3079262
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name3-(2-propyl-1,3-thiazolidin-3-yl)propanamide
SMILESCCCC1SCCN1CCC(N)=O
InChIInChI=1S/C9H18N2OS/c1-2-3-9-11(6-7-13-9)5-4-8(10)12/h9H,2-7H2,1H3,(H2,10,12)
InChIKeyGSPYFGAIWDRMBG-UHFFFAOYSA-N
XLogP1.04
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-propyl-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of 3-(2-propyl-1,3-thiazolidin-3-yl)propanamide (CID 3079262) is 3-(2-propyl-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for 3-(2-propyl-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for 3-(2-propyl-1,3-thiazolidin-3-yl)propanamide is CCCC1SCCN1CCC(N)=O.
What is the InChIKey of 3-(2-propyl-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is GSPYFGAIWDRMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-2-3-9-11(6-7-13-9)5-4-8(10)12/h9H,2-7H2,1H3,(H2,10,12).
What are the key properties of 3-(2-propyl-1,3-thiazolidin-3-yl)propanamide?
3-(2-propyl-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 202.32 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propyl-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 3079262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).