N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetamide

C18H22N4O2S — CID 51114606

IUPACN-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(Cc2ccccn2)n1)NCCCN1CCCC1=O
InChIInChI=1S/C18H22N4O2S/c23-16(20-8-4-10-22-9-3-6-18(22)24)11-15-13-25-17(21-15)12-14-5-1-2-7-19-14/h1-2,5,7,13H,3-4,6,8-12H2,(H,20,23)
InChIKeyIIQHLRJYEVTGMX-UHFFFAOYSA-N
MW358.47 g/mol
LogP1.80
Rot. Bonds8

About N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetamide

N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 51114606) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetamide
PubChem CID51114606
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(Cc2ccccn2)n1)NCCCN1CCCC1=O
InChIInChI=1S/C18H22N4O2S/c23-16(20-8-4-10-22-9-3-6-18(22)24)11-15-13-25-17(21-15)12-14-5-1-2-7-19-14/h1-2,5,7,13H,3-4,6,8-12H2,(H,20,23)
InChIKeyIIQHLRJYEVTGMX-UHFFFAOYSA-N
XLogP1.80
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetamide (CID 51114606) is N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetamide is O=C(Cc1csc(Cc2ccccn2)n1)NCCCN1CCCC1=O.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is IIQHLRJYEVTGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c23-16(20-8-4-10-22-9-3-6-18(22)24)11-15-13-25-17(21-15)12-14-5-1-2-7-19-14/h1-2,5,7,13H,3-4,6,8-12H2,(H,20,23).
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetamide?
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 358.47 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 51114606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).