3-ethyl-4-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one

C10H14N2OS — CID 19987454

IUPAC3-ethyl-4-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one
SMILESCCC1C(=O)NCC1Cc1cscn1
InChIInChI=1S/C10H14N2OS/c1-2-9-7(4-11-10(9)13)3-8-5-14-6-12-8/h5-7,9H,2-4H2,1H3,(H,11,13)
InChIKeyJSMAQDYCLWIHPR-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.46
Rot. Bonds3

About 3-ethyl-4-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one

3-ethyl-4-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one (PubChem CID 19987454) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 3-ethyl-4-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-ethyl-4-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one
PubChem CID19987454
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name3-ethyl-4-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one
SMILESCCC1C(=O)NCC1Cc1cscn1
InChIInChI=1S/C10H14N2OS/c1-2-9-7(4-11-10(9)13)3-8-5-14-6-12-8/h5-7,9H,2-4H2,1H3,(H,11,13)
InChIKeyJSMAQDYCLWIHPR-UHFFFAOYSA-N
XLogP1.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 3-ethyl-4-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one (CID 19987454) is 3-ethyl-4-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-ethyl-4-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 3-ethyl-4-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one is CCC1C(=O)NCC1Cc1cscn1.
What is the InChIKey of 3-ethyl-4-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one?
The InChIKey is JSMAQDYCLWIHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-2-9-7(4-11-10(9)13)3-8-5-14-6-12-8/h5-7,9H,2-4H2,1H3,(H,11,13).
What are the key properties of 3-ethyl-4-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one?
3-ethyl-4-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one has a molecular weight of 210.30 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 19987454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).