2-(azetidin-1-yl)-1-(1,2-thiazol-5-yl)ethanone

C8H10N2OS — CID 130840859

IUPAC2-(azetidin-1-yl)-1-(1,2-thiazol-5-yl)ethanone
SMILESO=C(CN1CCC1)c1ccns1
InChIInChI=1S/C8H10N2OS/c11-7(6-10-4-1-5-10)8-2-3-9-12-8/h2-3H,1,4-6H2
InChIKeyJOAVIPSFPRCDLX-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.03
Rot. Bonds3

About 2-(azetidin-1-yl)-1-(1,2-thiazol-5-yl)ethanone

2-(azetidin-1-yl)-1-(1,2-thiazol-5-yl)ethanone (PubChem CID 130840859) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-1-(1,2-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(azetidin-1-yl)-1-(1,2-thiazol-5-yl)ethanone
PubChem CID130840859
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name2-(azetidin-1-yl)-1-(1,2-thiazol-5-yl)ethanone
SMILESO=C(CN1CCC1)c1ccns1
InChIInChI=1S/C8H10N2OS/c11-7(6-10-4-1-5-10)8-2-3-9-12-8/h2-3H,1,4-6H2
InChIKeyJOAVIPSFPRCDLX-UHFFFAOYSA-N
XLogP1.03
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-1-(1,2-thiazol-5-yl)ethanone?
The IUPAC name of 2-(azetidin-1-yl)-1-(1,2-thiazol-5-yl)ethanone (CID 130840859) is 2-(azetidin-1-yl)-1-(1,2-thiazol-5-yl)ethanone.
What is the SMILES notation for 2-(azetidin-1-yl)-1-(1,2-thiazol-5-yl)ethanone?
The canonical SMILES for 2-(azetidin-1-yl)-1-(1,2-thiazol-5-yl)ethanone is O=C(CN1CCC1)c1ccns1.
What is the InChIKey of 2-(azetidin-1-yl)-1-(1,2-thiazol-5-yl)ethanone?
The InChIKey is JOAVIPSFPRCDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c11-7(6-10-4-1-5-10)8-2-3-9-12-8/h2-3H,1,4-6H2.
What are the key properties of 2-(azetidin-1-yl)-1-(1,2-thiazol-5-yl)ethanone?
2-(azetidin-1-yl)-1-(1,2-thiazol-5-yl)ethanone has a molecular weight of 182.25 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-1-(1,2-thiazol-5-yl)ethanone is sourced from PubChem (CID 130840859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).