5-ethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-2-carboxamide

C13H19N3O2S — CID 123434344

IUPAC5-ethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-2-carboxamide
SMILESCCc1cnc(C(=O)NCCC(=O)N2CCCC2)s1
InChIInChI=1S/C13H19N3O2S/c1-2-10-9-15-13(19-10)12(18)14-6-5-11(17)16-7-3-4-8-16/h9H,2-8H2,1H3,(H,14,18)
InChIKeyYTMRHZSDNNLWIZ-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.45
Rot. Bonds5

About 5-ethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-2-carboxamide

5-ethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-2-carboxamide (PubChem CID 123434344) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 5-ethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-2-carboxamide
PubChem CID123434344
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name5-ethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-2-carboxamide
SMILESCCc1cnc(C(=O)NCCC(=O)N2CCCC2)s1
InChIInChI=1S/C13H19N3O2S/c1-2-10-9-15-13(19-10)12(18)14-6-5-11(17)16-7-3-4-8-16/h9H,2-8H2,1H3,(H,14,18)
InChIKeyYTMRHZSDNNLWIZ-UHFFFAOYSA-N
XLogP1.45
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-Ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)urea
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3-ethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-oxoimidazolidine-1-carboxamide
CID 119048108
N-((1r,4r)-4-(3-aminopropanamido)cyclohexyl)-5-ethylthiazole-2-carboxamide
CID 132227657
N-((1r,4r)-4-aminocyclohexyl)-5-ethylthiazole-2-carboxamide
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2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 104213559
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 104214010
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 105911720
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 112696814
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-ethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-2-carboxamide (CID 123434344) is 5-ethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-ethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-2-carboxamide is CCc1cnc(C(=O)NCCC(=O)N2CCCC2)s1.
What is the InChIKey of 5-ethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-2-carboxamide?
The InChIKey is YTMRHZSDNNLWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-2-10-9-15-13(19-10)12(18)14-6-5-11(17)16-7-3-4-8-16/h9H,2-8H2,1H3,(H,14,18).
What are the key properties of 5-ethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-2-carboxamide?
5-ethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-2-carboxamide has a molecular weight of 281.38 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 123434344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).