1-pyrrolidin-1-yl-2-(1,3-thiazol-5-yl)ethanone

C9H12N2OS — CID 130714974

IUPAC1-pyrrolidin-1-yl-2-(1,3-thiazol-5-yl)ethanone
SMILESO=C(Cc1cncs1)N1CCCC1
InChIInChI=1S/C9H12N2OS/c12-9(11-3-1-2-4-11)5-8-6-10-7-13-8/h6-7H,1-5H2
InChIKeyCSYXDHSXSZARBY-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.31
Rot. Bonds2

About 1-pyrrolidin-1-yl-2-(1,3-thiazol-5-yl)ethanone

1-pyrrolidin-1-yl-2-(1,3-thiazol-5-yl)ethanone (PubChem CID 130714974) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-2-(1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-2-(1,3-thiazol-5-yl)ethanone
PubChem CID130714974
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name1-pyrrolidin-1-yl-2-(1,3-thiazol-5-yl)ethanone
SMILESO=C(Cc1cncs1)N1CCCC1
InChIInChI=1S/C9H12N2OS/c12-9(11-3-1-2-4-11)5-8-6-10-7-13-8/h6-7H,1-5H2
InChIKeyCSYXDHSXSZARBY-UHFFFAOYSA-N
XLogP1.31
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-2-(1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-pyrrolidin-1-yl-2-(1,3-thiazol-5-yl)ethanone (CID 130714974) is 1-pyrrolidin-1-yl-2-(1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-pyrrolidin-1-yl-2-(1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-pyrrolidin-1-yl-2-(1,3-thiazol-5-yl)ethanone is O=C(Cc1cncs1)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-2-(1,3-thiazol-5-yl)ethanone?
The InChIKey is CSYXDHSXSZARBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c12-9(11-3-1-2-4-11)5-8-6-10-7-13-8/h6-7H,1-5H2.
What are the key properties of 1-pyrrolidin-1-yl-2-(1,3-thiazol-5-yl)ethanone?
1-pyrrolidin-1-yl-2-(1,3-thiazol-5-yl)ethanone has a molecular weight of 196.27 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-2-(1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 130714974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).