N-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-(1,3-thiazol-2-yl)oxamide

C12H16N4O3S — CID 18588848

IUPACN-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-(1,3-thiazol-2-yl)oxamide
SMILESO=C(NCCCN1CCCC1=O)C(=O)Nc1nccs1
InChIInChI=1S/C12H16N4O3S/c17-9-3-1-6-16(9)7-2-4-13-10(18)11(19)15-12-14-5-8-20-12/h5,8H,1-4,6-7H2,(H,13,18)(H,14,15,19)
InChIKeyPZNMGYNWKAXMNF-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.21
Rot. Bonds5

About N-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-(1,3-thiazol-2-yl)oxamide

N-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-(1,3-thiazol-2-yl)oxamide (PubChem CID 18588848) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-(1,3-thiazol-2-yl)oxamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-(1,3-thiazol-2-yl)oxamide
PubChem CID18588848
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-(1,3-thiazol-2-yl)oxamide
SMILESO=C(NCCCN1CCCC1=O)C(=O)Nc1nccs1
InChIInChI=1S/C12H16N4O3S/c17-9-3-1-6-16(9)7-2-4-13-10(18)11(19)15-12-14-5-8-20-12/h5,8H,1-4,6-7H2,(H,13,18)(H,14,15,19)
InChIKeyPZNMGYNWKAXMNF-UHFFFAOYSA-N
XLogP0.21
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-(1,3-thiazol-2-yl)oxamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-(1,3-thiazol-2-yl)oxamide (CID 18588848) is N-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-(1,3-thiazol-2-yl)oxamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-(1,3-thiazol-2-yl)oxamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-(1,3-thiazol-2-yl)oxamide is O=C(NCCCN1CCCC1=O)C(=O)Nc1nccs1.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-(1,3-thiazol-2-yl)oxamide?
The InChIKey is PZNMGYNWKAXMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c17-9-3-1-6-16(9)7-2-4-13-10(18)11(19)15-12-14-5-8-20-12/h5,8H,1-4,6-7H2,(H,13,18)(H,14,15,19).
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-(1,3-thiazol-2-yl)oxamide?
N-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-(1,3-thiazol-2-yl)oxamide has a molecular weight of 296.35 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-(1,3-thiazol-2-yl)oxamide is sourced from PubChem (CID 18588848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).