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

C17H22N4OS — CID 94027060

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

1-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(pyridin-3-ylmethyl)urea (PubChem CID 94027060) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 1-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

• Compound Name: 1-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(pyridin-3-ylmethyl)urea
• PubChem CID: 94027060
• Molecular Formula: C17H22N4OS
• Molecular Weight: 330.46 g/mol
• Exact Mass: 330.15
• IUPAC Name: 1-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(pyridin-3-ylmethyl)urea
• SMILES: C[C@H](CNC(=O)NCc1cccnc1)N1CCc2sccc2C1
• InChI: InChI=1S/C17H22N4OS/c1-13(21-7-4-16-15(12-21)5-8-23-16)9-19-17(22)20-11-14-3-2-6-18-10-14/h2-3,5-6,8,10,13H,4,7,9,11-12H2,1H3,(H2,19,20,22)/t13-/m1/s1
• InChIKey: LHHONTIADJIHGL-CYBMUJFWSA-N
• XLogP: 2.39
• TPSA: 57.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.46
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(pyridin-3-ylmethyl)urea (CID 94027060) is 1-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(pyridin-3-ylmethyl)urea.

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

The canonical SMILES for 1-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(pyridin-3-ylmethyl)urea is C[C@H](CNC(=O)NCc1cccnc1)N1CCc2sccc2C1.

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

The InChIKey is LHHONTIADJIHGL-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-13(21-7-4-16-15(12-21)5-8-23-16)9-19-17(22)20-11-14-3-2-6-18-10-14/h2-3,5-6,8,10,13H,4,7,9,11-12H2,1H3,(H2,19,20,22)/t13-/m1/s1.

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

1-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(pyridin-3-ylmethyl)urea has a molecular weight of 330.46 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 94027060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).