2-(1-propylazetidin-3-yl)oxy-1,3-thiazole

C9H14N2OS — CID 170950687

IUPAC2-(1-propylazetidin-3-yl)oxy-1,3-thiazole
SMILESCCCN1CC(Oc2nccs2)C1
InChIInChI=1S/C9H14N2OS/c1-2-4-11-6-8(7-11)12-9-10-3-5-13-9/h3,5,8H,2,4,6-7H2,1H3
InChIKeyWQERZEQXBHBGPW-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.62
Rot. Bonds4

About 2-(1-propylazetidin-3-yl)oxy-1,3-thiazole

2-(1-propylazetidin-3-yl)oxy-1,3-thiazole (PubChem CID 170950687) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-(1-propylazetidin-3-yl)oxy-1,3-thiazole.

Molecular Properties

Compound Name2-(1-propylazetidin-3-yl)oxy-1,3-thiazole
PubChem CID170950687
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-(1-propylazetidin-3-yl)oxy-1,3-thiazole
SMILESCCCN1CC(Oc2nccs2)C1
InChIInChI=1S/C9H14N2OS/c1-2-4-11-6-8(7-11)12-9-10-3-5-13-9/h3,5,8H,2,4,6-7H2,1H3
InChIKeyWQERZEQXBHBGPW-UHFFFAOYSA-N
XLogP1.62
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-propylazetidin-3-yl)oxy-1,3-thiazole?
The IUPAC name of 2-(1-propylazetidin-3-yl)oxy-1,3-thiazole (CID 170950687) is 2-(1-propylazetidin-3-yl)oxy-1,3-thiazole.
What is the SMILES notation for 2-(1-propylazetidin-3-yl)oxy-1,3-thiazole?
The canonical SMILES for 2-(1-propylazetidin-3-yl)oxy-1,3-thiazole is CCCN1CC(Oc2nccs2)C1.
What is the InChIKey of 2-(1-propylazetidin-3-yl)oxy-1,3-thiazole?
The InChIKey is WQERZEQXBHBGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-2-4-11-6-8(7-11)12-9-10-3-5-13-9/h3,5,8H,2,4,6-7H2,1H3.
What are the key properties of 2-(1-propylazetidin-3-yl)oxy-1,3-thiazole?
2-(1-propylazetidin-3-yl)oxy-1,3-thiazole has a molecular weight of 198.29 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propylazetidin-3-yl)oxy-1,3-thiazole is sourced from PubChem (CID 170950687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).