3-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]propanamide

C25H22N4O4S2 — CID 23945085

About 3-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]propanamide

3-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 23945085) has the molecular formula C25H22N4O4S2 and a molecular weight of 506.61 g/mol. Its IUPAC name is 3-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

• Compound Name: 3-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]propanamide
• PubChem CID: 23945085
• Molecular Formula: C25H22N4O4S2
• Molecular Weight: 506.61 g/mol
• Exact Mass: 506.11
• IUPAC Name: 3-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]propanamide
• SMILES: CCOc1ccc(-c2csc(NC(=O)CCSc3nc(-c4ccco4)c(-c4ccco4)[nH]3)n2)cc1
• InChI: InChI=1S/C25H22N4O4S2/c1-2-31-17-9-7-16(8-10-17)18-15-35-24(26-18)27-21(30)11-14-34-25-28-22(19-5-3-12-32-19)23(29-25)20-6-4-13-33-20/h3-10,12-13,15H,2,11,14H2,1H3,(H,28,29)(H,26,27,30)
• InChIKey: IYTMEUKMKXYNLE-UHFFFAOYSA-N
• XLogP: 6.57
• TPSA: 106.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.61
LogP ≤ 5	6.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]propanamide?

The IUPAC name of 3-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]propanamide (CID 23945085) is 3-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]propanamide.

What is the SMILES notation for 3-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]propanamide?

The canonical SMILES for 3-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]propanamide is CCOc1ccc(-c2csc(NC(=O)CCSc3nc(-c4ccco4)c(-c4ccco4)[nH]3)n2)cc1.

What is the InChIKey of 3-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]propanamide?

The InChIKey is IYTMEUKMKXYNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4S2/c1-2-31-17-9-7-16(8-10-17)18-15-35-24(26-18)27-21(30)11-14-34-25-28-22(19-5-3-12-32-19)23(29-25)20-6-4-13-33-20/h3-10,12-13,15H,2,11,14H2,1H3,(H,28,29)(H,26,27,30).

What are the key properties of 3-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]propanamide?

3-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 506.61 g/mol, XLogP of 6.57, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 23945085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).