3-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one

C9H14N2OS — CID 116622641

IUPAC3-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one
SMILESO=c1sccn1CCN1CCCC1
InChIInChI=1S/C9H14N2OS/c12-9-11(7-8-13-9)6-5-10-3-1-2-4-10/h7-8H,1-6H2
InChIKeyHRIKAAFOGDVNSV-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.01
Rot. Bonds3

About 3-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one

3-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one (PubChem CID 116622641) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 3-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one
PubChem CID116622641
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name3-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one
SMILESO=c1sccn1CCN1CCCC1
InChIInChI=1S/C9H14N2OS/c12-9-11(7-8-13-9)6-5-10-3-1-2-4-10/h7-8H,1-6H2
InChIKeyHRIKAAFOGDVNSV-UHFFFAOYSA-N
XLogP1.01
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Hydroxy-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one
CID 123391370
3-(2-Oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one
CID 115646863
3-(3-Pyrrolidin-1-ylpropyl)-1,3-thiazol-2-one
CID 116622690
3-[(1-Methylpyrrolidin-3-yl)methyl]-1,3-thiazol-2-one
CID 131019509

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one?
The IUPAC name of 3-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one (CID 116622641) is 3-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one?
The canonical SMILES for 3-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one is O=c1sccn1CCN1CCCC1.
What is the InChIKey of 3-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one?
The InChIKey is HRIKAAFOGDVNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c12-9-11(7-8-13-9)6-5-10-3-1-2-4-10/h7-8H,1-6H2.
What are the key properties of 3-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one?
3-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one has a molecular weight of 198.29 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one is sourced from PubChem (CID 116622641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).