4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]-1-ethylpyrrolidin-2-one

C16H24N4O2S — CID 75388462

IUPAC4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]-1-ethylpyrrolidin-2-one
SMILESCCN1CC(C(=O)N2CCN(c3nc(C)c(C)s3)CC2)CC1=O
InChIInChI=1S/C16H24N4O2S/c1-4-18-10-13(9-14(18)21)15(22)19-5-7-20(8-6-19)16-17-11(2)12(3)23-16/h13H,4-10H2,1-3H3
InChIKeyGNGHSVIJFTZTFH-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.28
Rot. Bonds3

About 4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]-1-ethylpyrrolidin-2-one

4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]-1-ethylpyrrolidin-2-one (PubChem CID 75388462) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is 4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]-1-ethylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]-1-ethylpyrrolidin-2-one
PubChem CID75388462
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]-1-ethylpyrrolidin-2-one
SMILESCCN1CC(C(=O)N2CCN(c3nc(C)c(C)s3)CC2)CC1=O
InChIInChI=1S/C16H24N4O2S/c1-4-18-10-13(9-14(18)21)15(22)19-5-7-20(8-6-19)16-17-11(2)12(3)23-16/h13H,4-10H2,1-3H3
InChIKeyGNGHSVIJFTZTFH-UHFFFAOYSA-N
XLogP1.28
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]-1-ethylpyrrolidin-2-one with MolForge

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Related Compounds

(4S)-1-ethyl-4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 94093431
(4R)-1-ethyl-4-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carbonyl)pyrrolidin-2-one
CID 97196653
(4R)-1-ethyl-4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 97147763
1-ethyl-4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 72837378
ethyl 1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)piperidine-3-carboxylate
CID 43424047
(4R)-1-butyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9398589
(4S)-1-ethyl-4-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 129478630
4-(1-ethyl-5-oxopyrrolidine-3-carbonyl)-1,4-diazepan-2-one
CID 62896637
ethyl 4-(5-oxo-1-pentylpyrrolidine-3-carbonyl)piperazine-1-carboxylate
CID 113185693
5-[4-(2-amino-6-methylpyrimidin-4-yl)piperazine-1-carbonyl]-1-ethylpiperidin-2-one
CID 70755456
(4R)-1-ethyl-4-[4-[(3-methyl-4-pyridinyl)oxy]piperidine-1-carbonyl]pyrrolidin-2-one
CID 125139087
1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-one
CID 65169259

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]-1-ethylpyrrolidin-2-one?
The IUPAC name of 4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]-1-ethylpyrrolidin-2-one (CID 75388462) is 4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]-1-ethylpyrrolidin-2-one.
What is the SMILES notation for 4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]-1-ethylpyrrolidin-2-one?
The canonical SMILES for 4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]-1-ethylpyrrolidin-2-one is CCN1CC(C(=O)N2CCN(c3nc(C)c(C)s3)CC2)CC1=O.
What is the InChIKey of 4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]-1-ethylpyrrolidin-2-one?
The InChIKey is GNGHSVIJFTZTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-4-18-10-13(9-14(18)21)15(22)19-5-7-20(8-6-19)16-17-11(2)12(3)23-16/h13H,4-10H2,1-3H3.
What are the key properties of 4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]-1-ethylpyrrolidin-2-one?
4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]-1-ethylpyrrolidin-2-one has a molecular weight of 336.46 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]-1-ethylpyrrolidin-2-one is sourced from PubChem (CID 75388462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).