(4S)-1-ethyl-4-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one

C19H25N5O2S — CID 97280064

IUPAC(4S)-1-ethyl-4-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCCN1C[C@@H](C(=O)N2CCC(c3nccn3Cc3cscn3)CC2)CC1=O
InChIInChI=1S/C19H25N5O2S/c1-2-22-10-15(9-17(22)25)19(26)23-6-3-14(4-7-23)18-20-5-8-24(18)11-16-12-27-13-21-16/h5,8,12-15H,2-4,6-7,9-11H2,1H3/t15-/m0/s1
InChIKeyUQWIWXUHVFYRJE-HNNXBMFYSA-N
MW387.51 g/mol
LogP1.96
Rot. Bonds5

About (4S)-1-ethyl-4-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one

(4S)-1-ethyl-4-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 97280064) has the molecular formula C19H25N5O2S and a molecular weight of 387.51 g/mol. Its IUPAC name is (4S)-1-ethyl-4-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-ethyl-4-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID97280064
Molecular FormulaC19H25N5O2S
Molecular Weight387.51 g/mol
Exact Mass387.17
IUPAC Name(4S)-1-ethyl-4-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCCN1C[C@@H](C(=O)N2CCC(c3nccn3Cc3cscn3)CC2)CC1=O
InChIInChI=1S/C19H25N5O2S/c1-2-22-10-15(9-17(22)25)19(26)23-6-3-14(4-7-23)18-20-5-8-24(18)11-16-12-27-13-21-16/h5,8,12-15H,2-4,6-7,9-11H2,1H3/t15-/m0/s1
InChIKeyUQWIWXUHVFYRJE-HNNXBMFYSA-N
XLogP1.96
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methoxyethyl)-4-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 72846613
2-(5-methylpyrazol-1-yl)-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 70787429
(3-hydroxy-2-pyridinyl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 70745460
(4R)-4-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 97274448
2-(tetrazol-1-yl)-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 72872657
(2R)-2-phenyl-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 97283623
2-methyl-2-pyrrolidin-1-yl-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 97269710
(3R)-N-cyclohexyl-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide
CID 97187985
(4R)-1-ethyl-4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 97147763
propan-2-yl (3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxylate
CID 97210106
(1-ethylpyrazol-4-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97283849
(4S)-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 97153223

Frequently Asked Questions

What is the IUPAC name of (4S)-1-ethyl-4-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-ethyl-4-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one (CID 97280064) is (4S)-1-ethyl-4-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-ethyl-4-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-ethyl-4-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one is CCN1C[C@@H](C(=O)N2CCC(c3nccn3Cc3cscn3)CC2)CC1=O.
What is the InChIKey of (4S)-1-ethyl-4-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is UQWIWXUHVFYRJE-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N5O2S/c1-2-22-10-15(9-17(22)25)19(26)23-6-3-14(4-7-23)18-20-5-8-24(18)11-16-12-27-13-21-16/h5,8,12-15H,2-4,6-7,9-11H2,1H3/t15-/m0/s1.
What are the key properties of (4S)-1-ethyl-4-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one?
(4S)-1-ethyl-4-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 387.51 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-ethyl-4-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 97280064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).