2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide

C25H20N4O3S2 — CID 16510962

About 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide

2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide (PubChem CID 16510962) has the molecular formula C25H20N4O3S2 and a molecular weight of 488.59 g/mol. Its IUPAC name is 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

• Compound Name: 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
• PubChem CID: 16510962
• Molecular Formula: C25H20N4O3S2
• Molecular Weight: 488.59 g/mol
• Exact Mass: 488.10
• IUPAC Name: 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
• SMILES: CC(Sc1nc2ccccc2c(=O)n1Cc1ccco1)C(=O)Nc1nc(-c2ccccc2)cs1
• InChI: InChI=1S/C25H20N4O3S2/c1-16(22(30)28-24-26-21(15-33-24)17-8-3-2-4-9-17)34-25-27-20-12-6-5-11-19(20)23(31)29(25)14-18-10-7-13-32-18/h2-13,15-16H,14H2,1H3,(H,26,28,30)
• InChIKey: HXLWPJRDZKWPDE-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 90.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.59
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide (CID 16510962) is 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide.

What is the SMILES notation for 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?

The canonical SMILES for 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide is CC(Sc1nc2ccccc2c(=O)n1Cc1ccco1)C(=O)Nc1nc(-c2ccccc2)cs1.

What is the InChIKey of 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?

The InChIKey is HXLWPJRDZKWPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3S2/c1-16(22(30)28-24-26-21(15-33-24)17-8-3-2-4-9-17)34-25-27-20-12-6-5-11-19(20)23(31)29(25)14-18-10-7-13-32-18/h2-13,15-16H,14H2,1H3,(H,26,28,30).

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

2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 488.59 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 16510962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).