(5R)-5-(pyridin-2-yloxymethyl)-1-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pyrrolidin-2-one

C15H17N3O2S2 — CID 141078078

IUPAC(5R)-5-(pyridin-2-yloxymethyl)-1-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pyrrolidin-2-one
SMILESO=C1CC[C@H](COc2ccccn2)N1CCSc1nccs1
InChIInChI=1S/C15H17N3O2S2/c19-14-5-4-12(11-20-13-3-1-2-6-16-13)18(14)8-10-22-15-17-7-9-21-15/h1-3,6-7,9,12H,4-5,8,10-11H2/t12-/m1/s1
InChIKeyDTOYPQYSHGVEEN-GFCCVEGCSA-N
MW335.45 g/mol
LogP2.70
Rot. Bonds7

About (5R)-5-(pyridin-2-yloxymethyl)-1-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pyrrolidin-2-one

(5R)-5-(pyridin-2-yloxymethyl)-1-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pyrrolidin-2-one (PubChem CID 141078078) has the molecular formula C15H17N3O2S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is (5R)-5-(pyridin-2-yloxymethyl)-1-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(pyridin-2-yloxymethyl)-1-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pyrrolidin-2-one
PubChem CID141078078
Molecular FormulaC15H17N3O2S2
Molecular Weight335.45 g/mol
Exact Mass335.08
IUPAC Name(5R)-5-(pyridin-2-yloxymethyl)-1-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pyrrolidin-2-one
SMILESO=C1CC[C@H](COc2ccccn2)N1CCSc1nccs1
InChIInChI=1S/C15H17N3O2S2/c19-14-5-4-12(11-20-13-3-1-2-6-16-13)18(14)8-10-22-15-17-7-9-21-15/h1-3,6-7,9,12H,4-5,8,10-11H2/t12-/m1/s1
InChIKeyDTOYPQYSHGVEEN-GFCCVEGCSA-N
XLogP2.70
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Related Compounds

(5R)-5-(2,5-dihydropyrrol-1-ylmethyl)-1-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pyrrolidin-2-one
CID 141078095
(5R)-5-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-1-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pyrrolidin-2-one
CID 141078127
(5R)-5-[(3-bromoanilino)methyl]-1-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pyrrolidin-2-one
CID 141078147
2-[[(2S,5R)-1,5-dimethylpyrrolidin-2-yl]methoxy]pyridine
CID 70082064
2-[2-[(5R)-2-oxo-5-[(pyridin-2-ylmethylamino)methyl]pyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid
CID 67414362
2-[2-[2-[[3-[(dimethylamino)methyl]phenoxy]methyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid
CID 77287921
2-[2-[2-oxo-5-(2-phenylpropoxymethyl)pyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid
CID 77287160
2-[2-[2-[(3-ethynylphenoxy)methyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid
CID 91102147
2-[2-[2-oxo-5-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid
CID 72552149
2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 141201313
2-[2-[2-oxo-5-[(quinolin-5-ylamino)methyl]pyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid
CID 77287934
2-[2-[(2R)-2-[(4-methoxy-2-nitrophenoxy)methyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid
CID 67410574

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(pyridin-2-yloxymethyl)-1-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-(pyridin-2-yloxymethyl)-1-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pyrrolidin-2-one (CID 141078078) is (5R)-5-(pyridin-2-yloxymethyl)-1-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-(pyridin-2-yloxymethyl)-1-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-(pyridin-2-yloxymethyl)-1-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pyrrolidin-2-one is O=C1CC[C@H](COc2ccccn2)N1CCSc1nccs1.
What is the InChIKey of (5R)-5-(pyridin-2-yloxymethyl)-1-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pyrrolidin-2-one?
The InChIKey is DTOYPQYSHGVEEN-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17N3O2S2/c19-14-5-4-12(11-20-13-3-1-2-6-16-13)18(14)8-10-22-15-17-7-9-21-15/h1-3,6-7,9,12H,4-5,8,10-11H2/t12-/m1/s1.
What are the key properties of (5R)-5-(pyridin-2-yloxymethyl)-1-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pyrrolidin-2-one?
(5R)-5-(pyridin-2-yloxymethyl)-1-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pyrrolidin-2-one has a molecular weight of 335.45 g/mol, XLogP of 2.70, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(pyridin-2-yloxymethyl)-1-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 141078078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).