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

C20H27FN4OS — CID 60569781

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

1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]urea (PubChem CID 60569781) has the molecular formula C20H27FN4OS and a molecular weight of 390.53 g/mol. Its IUPAC name is 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]urea.

Molecular Properties

• Compound Name: 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]urea
• PubChem CID: 60569781
• Molecular Formula: C20H27FN4OS
• Molecular Weight: 390.53 g/mol
• Exact Mass: 390.19
• IUPAC Name: 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]urea
• SMILES: CN(C)C(CNC(=O)NCCN1CCc2sccc2C1)c1cccc(F)c1
• InChI: InChI=1S/C20H27FN4OS/c1-24(2)18(15-4-3-5-17(21)12-15)13-23-20(26)22-8-10-25-9-6-19-16(14-25)7-11-27-19/h3-5,7,11-12,18H,6,8-10,13-14H2,1-2H3,(H2,22,23,26)
• InChIKey: ZXYZTEXQNSQSQP-UHFFFAOYSA-N
• XLogP: 2.85
• TPSA: 47.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.53
LogP ≤ 5	2.85
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)ethyl]-3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]urea?

The IUPAC name of 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]urea (CID 60569781) is 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]urea.

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

The canonical SMILES for 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]urea is CN(C)C(CNC(=O)NCCN1CCc2sccc2C1)c1cccc(F)c1.

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

The InChIKey is ZXYZTEXQNSQSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4OS/c1-24(2)18(15-4-3-5-17(21)12-15)13-23-20(26)22-8-10-25-9-6-19-16(14-25)7-11-27-19/h3-5,7,11-12,18H,6,8-10,13-14H2,1-2H3,(H2,22,23,26).

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

1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]urea has a molecular weight of 390.53 g/mol, XLogP of 2.85, 7 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)ethyl]-3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]urea is sourced from PubChem (CID 60569781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).