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

C23H18N4O3S2 — CID 23832941

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

3-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide (PubChem CID 23832941) has the molecular formula C23H18N4O3S2 and a molecular weight of 462.56 g/mol. Its IUPAC name is 3-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

• Compound Name: 3-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
• PubChem CID: 23832941
• Molecular Formula: C23H18N4O3S2
• Molecular Weight: 462.56 g/mol
• Exact Mass: 462.08
• IUPAC Name: 3-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
• SMILES: O=C(CCSc1nc(-c2ccco2)c(-c2ccco2)[nH]1)Nc1nc(-c2ccccc2)cs1
• InChI: InChI=1S/C23H18N4O3S2/c28-19(25-22-24-16(14-32-22)15-6-2-1-3-7-15)10-13-31-23-26-20(17-8-4-11-29-17)21(27-23)18-9-5-12-30-18/h1-9,11-12,14H,10,13H2,(H,26,27)(H,24,25,28)
• InChIKey: XCWXVLJAGHWVNU-UHFFFAOYSA-N
• XLogP: 6.17
• TPSA: 96.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.56
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide (CID 23832941) is 3-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-(4-phenyl-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-phenyl-1,3-thiazol-2-yl)propanamide?

The canonical SMILES for 3-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide is O=C(CCSc1nc(-c2ccco2)c(-c2ccco2)[nH]1)Nc1nc(-c2ccccc2)cs1.

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

The InChIKey is XCWXVLJAGHWVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3S2/c28-19(25-22-24-16(14-32-22)15-6-2-1-3-7-15)10-13-31-23-26-20(17-8-4-11-29-17)21(27-23)18-9-5-12-30-18/h1-9,11-12,14H,10,13H2,(H,26,27)(H,24,25,28).

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

3-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 462.56 g/mol, XLogP of 6.17, 8 rotatable bonds, 2 hydrogen bond donors, and 7 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-phenyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 23832941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).