tert-butyl N-[6-ethyl-3-(1,3,4-oxadiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamate

C16H22N4O3S — CID 118318293

About tert-butyl N-[6-ethyl-3-(1,3,4-oxadiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamate

tert-butyl N-[6-ethyl-3-(1,3,4-oxadiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamate (PubChem CID 118318293) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is tert-butyl N-[6-ethyl-3-(1,3,4-oxadiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[6-ethyl-3-(1,3,4-oxadiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamate
• PubChem CID: 118318293
• Molecular Formula: C16H22N4O3S
• Molecular Weight: 350.44 g/mol
• Exact Mass: 350.14
• IUPAC Name: tert-butyl N-[6-ethyl-3-(1,3,4-oxadiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamate
• SMILES: CCN1CCc2c(sc(NC(=O)OC(C)(C)C)c2-c2nnco2)C1
• InChI: InChI=1S/C16H22N4O3S/c1-5-20-7-6-10-11(8-20)24-14(12(10)13-19-17-9-22-13)18-15(21)23-16(2,3)4/h9H,5-8H2,1-4H3,(H,18,21)
• InChIKey: XIEJFFTWSKUXGU-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.44
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-ethyl-3-(1,3,4-oxadiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamate?

The IUPAC name of tert-butyl N-[6-ethyl-3-(1,3,4-oxadiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamate (CID 118318293) is tert-butyl N-[6-ethyl-3-(1,3,4-oxadiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamate.

What is the SMILES notation for tert-butyl N-[6-ethyl-3-(1,3,4-oxadiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamate?

The canonical SMILES for tert-butyl N-[6-ethyl-3-(1,3,4-oxadiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamate is CCN1CCc2c(sc(NC(=O)OC(C)(C)C)c2-c2nnco2)C1.

What is the InChIKey of tert-butyl N-[6-ethyl-3-(1,3,4-oxadiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamate?

The InChIKey is XIEJFFTWSKUXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-5-20-7-6-10-11(8-20)24-14(12(10)13-19-17-9-22-13)18-15(21)23-16(2,3)4/h9H,5-8H2,1-4H3,(H,18,21).

What are the key properties of tert-butyl N-[6-ethyl-3-(1,3,4-oxadiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamate?

tert-butyl N-[6-ethyl-3-(1,3,4-oxadiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamate has a molecular weight of 350.44 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[6-ethyl-3-(1,3,4-oxadiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamate is sourced from PubChem (CID 118318293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).