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

C13H20N4O2S — CID 117080499

IUPAC2-(ethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
SMILESCCNc1ncc(C(=O)NCCCN2CCCC2=O)s1
InChIInChI=1S/C13H20N4O2S/c1-2-14-13-16-9-10(20-13)12(19)15-6-4-8-17-7-3-5-11(17)18/h9H,2-8H2,1H3,(H,14,16)(H,15,19)
InChIKeyAUKMECDGMSRLNN-UHFFFAOYSA-N
MW296.40 g/mol
LogP1.32
Rot. Bonds7

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

2-(ethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide (PubChem CID 117080499) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is 2-(ethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
PubChem CID117080499
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name2-(ethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
SMILESCCNc1ncc(C(=O)NCCCN2CCCC2=O)s1
InChIInChI=1S/C13H20N4O2S/c1-2-14-13-16-9-10(20-13)12(19)15-6-4-8-17-7-3-5-11(17)18/h9H,2-8H2,1H3,(H,14,16)(H,15,19)
InChIKeyAUKMECDGMSRLNN-UHFFFAOYSA-N
XLogP1.32
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopropylmethylsulfanyl)ethyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide
CID 75496100
2-(ethylamino)-N-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 84590724
[2-(Ethylamino)-1,3-thiazol-5-yl]-(1,2-oxazolidin-2-yl)methanone
CID 86797132
2-(ethylamino)-N-[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
CID 96525682
[2-(Ethylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 97236851
4-[(2-Amino-1,3-thiazol-5-yl)carbonyl]-1-butylpiperazin-2-one
CID 124215181
2-[2-(Ethylamino)-1,3-thiazole-5-carbonyl]-2-azabicyclo[2.1.1]hexane-1-carboxamide
CID 132321910
2-(3-methyl-2-oxoimidazolidin-1-yl)-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carboxamide
CID 132469550
2-amino-N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-N-methyl-1,3-thiazole-5-carboxamide
CID 164630570
(4S)-1-propyl-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methylamino]pyrrolidin-2-one
CID 164637909
2-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methyl-1,3-thiazole-5-carboxamide
CID 169149034
N-cyclopropyl-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-1,3-thiazole-5-carboxamide
CID 117089736

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(ethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide (CID 117080499) is 2-(ethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide is CCNc1ncc(C(=O)NCCCN2CCCC2=O)s1.
What is the InChIKey of 2-(ethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide?
The InChIKey is AUKMECDGMSRLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-2-14-13-16-9-10(20-13)12(19)15-6-4-8-17-7-3-5-11(17)18/h9H,2-8H2,1H3,(H,14,16)(H,15,19).
What are the key properties of 2-(ethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide?
2-(ethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide has a molecular weight of 296.40 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117080499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).