2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide

C21H33N5O3S — CID 117088651

IUPAC2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(c2ncc(C(=O)NCCCN3CCCC3=O)s2)C1
InChIInChI=1S/C21H33N5O3S/c1-3-24(4-2)20(29)16-8-5-12-26(15-16)21-23-14-17(30-21)19(28)22-10-7-13-25-11-6-9-18(25)27/h14,16H,3-13,15H2,1-2H3,(H,22,28)
InChIKeyBWSYUBZMRVDCPB-UHFFFAOYSA-N
MW435.59 g/mol
LogP1.97
Rot. Bonds9

About 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide

2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide (PubChem CID 117088651) has the molecular formula C21H33N5O3S and a molecular weight of 435.59 g/mol. Its IUPAC name is 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
PubChem CID117088651
Molecular FormulaC21H33N5O3S
Molecular Weight435.59 g/mol
Exact Mass435.23
IUPAC Name2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(c2ncc(C(=O)NCCCN3CCCC3=O)s2)C1
InChIInChI=1S/C21H33N5O3S/c1-3-24(4-2)20(29)16-8-5-12-26(15-16)21-23-14-17(30-21)19(28)22-10-7-13-25-11-6-9-18(25)27/h14,16H,3-13,15H2,1-2H3,(H,22,28)
InChIKeyBWSYUBZMRVDCPB-UHFFFAOYSA-N
XLogP1.97
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.59
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 117088724
N-(1-benzylpiperidin-4-yl)-2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide
CID 117089997
5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 20942852
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
CID 117081453
N,N-diethyl-1-[6-(2-hydroxyethylamino)-9-[2-(2-oxopyrrolidin-1-yl)ethyl]purin-2-yl]piperidine-3-carboxamide
CID 117082572
1-(5-amino-1,3,4-thiadiazol-2-yl)-N,N-diethylpiperidine-3-carboxamide
CID 154565221
5-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 42997988
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 117093615
(3S)-N-ethyl-N-(2-methylprop-2-enyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 26315344
2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carbohydrazide
CID 82425308
N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopentanecarboxamide
CID 17217958
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 72894736

Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide (CID 117088651) is 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide is CCN(CC)C(=O)C1CCCN(c2ncc(C(=O)NCCCN3CCCC3=O)s2)C1.
What is the InChIKey of 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide?
The InChIKey is BWSYUBZMRVDCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O3S/c1-3-24(4-2)20(29)16-8-5-12-26(15-16)21-23-14-17(30-21)19(28)22-10-7-13-25-11-6-9-18(25)27/h14,16H,3-13,15H2,1-2H3,(H,22,28).
What are the key properties of 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide?
2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide has a molecular weight of 435.59 g/mol, XLogP of 1.97, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117088651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).