N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide

C11H15N3O2S — CID 63048000

IUPACN-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cscn1
InChIInChI=1S/C11H15N3O2S/c15-10-3-1-5-14(10)6-2-4-12-11(16)9-7-17-8-13-9/h7-8H,1-6H2,(H,12,16)
InChIKeyDJBPZPYTGQOHSR-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.89
Rot. Bonds5

About N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide

N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide (PubChem CID 63048000) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
PubChem CID63048000
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cscn1
InChIInChI=1S/C11H15N3O2S/c15-10-3-1-5-14(10)6-2-4-12-11(16)9-7-17-8-13-9/h7-8H,1-6H2,(H,12,16)
InChIKeyDJBPZPYTGQOHSR-UHFFFAOYSA-N
XLogP0.89
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 72894736
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 46407451
2-[3-(2-oxoazepan-1-yl)propylcarbamoyl]pyridine-4-carboxylic acid
CID 122055052
6-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide
CID 62233313
2-[(4-chlorophenoxy)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 30892188
N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 63037909
5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-3-carboxamide
CID 2225281
N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 176776996
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide
CID 117085100
6-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 143798014
5,6-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 60635904
2-tert-butyl-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrimidine-5-carboxamide
CID 70740259

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide (CID 63048000) is N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide is O=C(NCCCN1CCCC1=O)c1cscn1.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide?
The InChIKey is DJBPZPYTGQOHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c15-10-3-1-5-14(10)6-2-4-12-11(16)9-7-17-8-13-9/h7-8H,1-6H2,(H,12,16).
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide?
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide has a molecular weight of 253.33 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63048000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).