3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide

C11H15N3O2S — CID 114182021

IUPAC3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide
SMILESO=C(CCN1CCSC1=O)NCc1cc[nH]c1
InChIInChI=1S/C11H15N3O2S/c15-10(13-8-9-1-3-12-7-9)2-4-14-5-6-17-11(14)16/h1,3,7,12H,2,4-6,8H2,(H,13,15)
InChIKeyMINYAUQAZLCVGJ-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.19
Rot. Bonds5

About 3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide

3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide (PubChem CID 114182021) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide
PubChem CID114182021
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide
SMILESO=C(CCN1CCSC1=O)NCc1cc[nH]c1
InChIInChI=1S/C11H15N3O2S/c15-10(13-8-9-1-3-12-7-9)2-4-14-5-6-17-11(14)16/h1,3,7,12H,2,4-6,8H2,(H,13,15)
InChIKeyMINYAUQAZLCVGJ-UHFFFAOYSA-N
XLogP1.19
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(hydroxymethyl)phenyl]methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 107232666
N-[(3-chlorophenyl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 17400594
N-(1,3-benzodioxol-5-ylmethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18108119
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18119409
3-(2-oxo-1,3-thiazolidin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 18105827
N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 55681416
N-[(2-fluorophenyl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 9245524
3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 54885192
3-(2-oxo-1,3-thiazolidin-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide
CID 18132515
3-(2-oxo-1,3-thiazolidin-3-yl)-N-propylpropanamide
CID 60682333
methyl 2-methoxy-5-[[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]methyl]benzoate
CID 18113018
N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 56787167

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide?
The IUPAC name of 3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide (CID 114182021) is 3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide?
The canonical SMILES for 3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide is O=C(CCN1CCSC1=O)NCc1cc[nH]c1.
What is the InChIKey of 3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide?
The InChIKey is MINYAUQAZLCVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c15-10(13-8-9-1-3-12-7-9)2-4-14-5-6-17-11(14)16/h1,3,7,12H,2,4-6,8H2,(H,13,15).
What are the key properties of 3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide?
3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide has a molecular weight of 253.33 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide is sourced from PubChem (CID 114182021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).