1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(2-pyridin-3-ylethyl)urea

C18H24N4OS — CID 51078480

About 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(2-pyridin-3-ylethyl)urea

1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(2-pyridin-3-ylethyl)urea (PubChem CID 51078480) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(2-pyridin-3-ylethyl)urea.

Molecular Properties

• Compound Name: 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(2-pyridin-3-ylethyl)urea
• PubChem CID: 51078480
• Molecular Formula: C18H24N4OS
• Molecular Weight: 344.48 g/mol
• Exact Mass: 344.17
• IUPAC Name: 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(2-pyridin-3-ylethyl)urea
• SMILES: CC(CNC(=O)NCCc1cccnc1)N1CCc2sccc2C1
• InChI: InChI=1S/C18H24N4OS/c1-14(22-9-5-17-16(13-22)6-10-24-17)11-21-18(23)20-8-4-15-3-2-7-19-12-15/h2-3,6-7,10,12,14H,4-5,8-9,11,13H2,1H3,(H2,20,21,23)
• InChIKey: XTHSYOFNUZKFAM-UHFFFAOYSA-N
• XLogP: 2.43
• TPSA: 57.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.48
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(2-pyridin-3-ylethyl)urea?

The IUPAC name of 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(2-pyridin-3-ylethyl)urea (CID 51078480) is 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(2-pyridin-3-ylethyl)urea.

What is the SMILES notation for 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(2-pyridin-3-ylethyl)urea?

The canonical SMILES for 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(2-pyridin-3-ylethyl)urea is CC(CNC(=O)NCCc1cccnc1)N1CCc2sccc2C1.

What is the InChIKey of 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(2-pyridin-3-ylethyl)urea?

The InChIKey is XTHSYOFNUZKFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-14(22-9-5-17-16(13-22)6-10-24-17)11-21-18(23)20-8-4-15-3-2-7-19-12-15/h2-3,6-7,10,12,14H,4-5,8-9,11,13H2,1H3,(H2,20,21,23).

What are the key properties of 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(2-pyridin-3-ylethyl)urea?

1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(2-pyridin-3-ylethyl)urea has a molecular weight of 344.48 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(2-pyridin-3-ylethyl)urea is sourced from PubChem (CID 51078480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).