1-[3-(oxolan-3-ylamino)azetidin-1-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone

C16H19N3O2S2 — CID 167760710

About 1-[3-(oxolan-3-ylamino)azetidin-1-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone

1-[3-(oxolan-3-ylamino)azetidin-1-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone (PubChem CID 167760710) has the molecular formula C16H19N3O2S2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-[3-(oxolan-3-ylamino)azetidin-1-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

• Compound Name: 1-[3-(oxolan-3-ylamino)azetidin-1-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone
• PubChem CID: 167760710
• Molecular Formula: C16H19N3O2S2
• Molecular Weight: 349.48 g/mol
• Exact Mass: 349.09
• IUPAC Name: 1-[3-(oxolan-3-ylamino)azetidin-1-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone
• SMILES: O=C(Cc1csc(-c2cccs2)n1)N1CC(NC2CCOC2)C1
• InChI: InChI=1S/C16H19N3O2S2/c20-15(19-7-13(8-19)17-11-3-4-21-9-11)6-12-10-23-16(18-12)14-2-1-5-22-14/h1-2,5,10-11,13,17H,3-4,6-9H2
• InChIKey: SMMBETOWLJTXGZ-UHFFFAOYSA-N
• XLogP: 2.00
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.48
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[3-(oxolan-3-ylamino)azetidin-1-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone?

The IUPAC name of 1-[3-(oxolan-3-ylamino)azetidin-1-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone (CID 167760710) is 1-[3-(oxolan-3-ylamino)azetidin-1-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone.

What is the SMILES notation for 1-[3-(oxolan-3-ylamino)azetidin-1-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone?

The canonical SMILES for 1-[3-(oxolan-3-ylamino)azetidin-1-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone is O=C(Cc1csc(-c2cccs2)n1)N1CC(NC2CCOC2)C1.

What is the InChIKey of 1-[3-(oxolan-3-ylamino)azetidin-1-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone?

The InChIKey is SMMBETOWLJTXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S2/c20-15(19-7-13(8-19)17-11-3-4-21-9-11)6-12-10-23-16(18-12)14-2-1-5-22-14/h1-2,5,10-11,13,17H,3-4,6-9H2.

What are the key properties of 1-[3-(oxolan-3-ylamino)azetidin-1-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone?

1-[3-(oxolan-3-ylamino)azetidin-1-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone has a molecular weight of 349.48 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(oxolan-3-ylamino)azetidin-1-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 167760710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).