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

C15H23N3OS2 — CID 141078080

IUPAC(5R)-5-(piperidin-1-ylmethyl)-1-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pyrrolidin-2-one
SMILESO=C1CC[C@H](CN2CCCCC2)N1CCSc1nccs1
InChIInChI=1S/C15H23N3OS2/c19-14-5-4-13(12-17-7-2-1-3-8-17)18(14)9-11-21-15-16-6-10-20-15/h6,10,13H,1-5,7-9,11-12H2/t13-/m1/s1
InChIKeyGMRCAWMATSXICX-CYBMUJFWSA-N
MW325.50 g/mol
LogP2.71
Rot. Bonds6

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

(5R)-5-(piperidin-1-ylmethyl)-1-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pyrrolidin-2-one (PubChem CID 141078080) has the molecular formula C15H23N3OS2 and a molecular weight of 325.50 g/mol. Its IUPAC name is (5R)-5-(piperidin-1-ylmethyl)-1-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(piperidin-1-ylmethyl)-1-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pyrrolidin-2-one
PubChem CID141078080
Molecular FormulaC15H23N3OS2
Molecular Weight325.50 g/mol
Exact Mass325.13
IUPAC Name(5R)-5-(piperidin-1-ylmethyl)-1-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pyrrolidin-2-one
SMILESO=C1CC[C@H](CN2CCCCC2)N1CCSc1nccs1
InChIInChI=1S/C15H23N3OS2/c19-14-5-4-13(12-17-7-2-1-3-8-17)18(14)9-11-21-15-16-6-10-20-15/h6,10,13H,1-5,7-9,11-12H2/t13-/m1/s1
InChIKeyGMRCAWMATSXICX-CYBMUJFWSA-N
XLogP2.71
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(piperidin-1-ylmethyl)-1-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-(piperidin-1-ylmethyl)-1-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pyrrolidin-2-one (CID 141078080) is (5R)-5-(piperidin-1-ylmethyl)-1-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-(piperidin-1-ylmethyl)-1-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-(piperidin-1-ylmethyl)-1-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pyrrolidin-2-one is O=C1CC[C@H](CN2CCCCC2)N1CCSc1nccs1.
What is the InChIKey of (5R)-5-(piperidin-1-ylmethyl)-1-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pyrrolidin-2-one?
The InChIKey is GMRCAWMATSXICX-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23N3OS2/c19-14-5-4-13(12-17-7-2-1-3-8-17)18(14)9-11-21-15-16-6-10-20-15/h6,10,13H,1-5,7-9,11-12H2/t13-/m1/s1.
What are the key properties of (5R)-5-(piperidin-1-ylmethyl)-1-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pyrrolidin-2-one?
(5R)-5-(piperidin-1-ylmethyl)-1-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pyrrolidin-2-one has a molecular weight of 325.50 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(piperidin-1-ylmethyl)-1-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 141078080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).