1-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]pyrrolidin-2-one

C13H19N3OS — CID 74243734

IUPAC1-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CCCN(Cc2nccs2)C1
InChIInChI=1S/C13H19N3OS/c17-13-4-2-7-16(13)11-3-1-6-15(9-11)10-12-14-5-8-18-12/h5,8,11H,1-4,6-7,9-10H2
InChIKeyNXUWTQDNVPIONL-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.73
Rot. Bonds3

About 1-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]pyrrolidin-2-one

1-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]pyrrolidin-2-one (PubChem CID 74243734) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]pyrrolidin-2-one
PubChem CID74243734
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name1-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CCCN(Cc2nccs2)C1
InChIInChI=1S/C13H19N3OS/c17-13-4-2-7-16(13)11-3-1-6-15(9-11)10-12-14-5-8-18-12/h5,8,11H,1-4,6-7,9-10H2
InChIKeyNXUWTQDNVPIONL-UHFFFAOYSA-N
XLogP1.73
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]pyrrolidin-2-one (CID 74243734) is 1-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]pyrrolidin-2-one is O=C1CCCN1C1CCCN(Cc2nccs2)C1.
What is the InChIKey of 1-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]pyrrolidin-2-one?
The InChIKey is NXUWTQDNVPIONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c17-13-4-2-7-16(13)11-3-1-6-15(9-11)10-12-14-5-8-18-12/h5,8,11H,1-4,6-7,9-10H2.
What are the key properties of 1-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]pyrrolidin-2-one?
1-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]pyrrolidin-2-one has a molecular weight of 265.38 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 74243734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).