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

C19H29N3O2S — CID 86960109

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

1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3-[2-(3-methylcyclohexyl)ethyl]urea (PubChem CID 86960109) has the molecular formula C19H29N3O2S and a molecular weight of 363.53 g/mol. Its IUPAC name is 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3-[2-(3-methylcyclohexyl)ethyl]urea.

Molecular Properties

• Compound Name: 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3-[2-(3-methylcyclohexyl)ethyl]urea
• PubChem CID: 86960109
• Molecular Formula: C19H29N3O2S
• Molecular Weight: 363.53 g/mol
• Exact Mass: 363.20
• IUPAC Name: 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3-[2-(3-methylcyclohexyl)ethyl]urea
• SMILES: CC1CCCC(CCNC(=O)NCC(=O)N2CCc3sccc3C2)C1
• InChI: InChI=1S/C19H29N3O2S/c1-14-3-2-4-15(11-14)5-8-20-19(24)21-12-18(23)22-9-6-17-16(13-22)7-10-25-17/h7,10,14-15H,2-6,8-9,11-13H2,1H3,(H2,20,21,24)
• InChIKey: NJMLMWAECWYDCE-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 61.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.53
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3-[2-(3-methylcyclohexyl)ethyl]urea (CID 86960109) is 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3-[2-(3-methylcyclohexyl)ethyl]urea.

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

The canonical SMILES for 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3-[2-(3-methylcyclohexyl)ethyl]urea is CC1CCCC(CCNC(=O)NCC(=O)N2CCc3sccc3C2)C1.

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

The InChIKey is NJMLMWAECWYDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2S/c1-14-3-2-4-15(11-14)5-8-20-19(24)21-12-18(23)22-9-6-17-16(13-22)7-10-25-17/h7,10,14-15H,2-6,8-9,11-13H2,1H3,(H2,20,21,24).

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

1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3-[2-(3-methylcyclohexyl)ethyl]urea has a molecular weight of 363.53 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 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)-2-oxoethyl]-3-[2-(3-methylcyclohexyl)ethyl]urea is sourced from PubChem (CID 86960109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).