2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide

C22H20N4O2S2 — CID 56568392

About 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide

2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 56568392) has the molecular formula C22H20N4O2S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
• PubChem CID: 56568392
• Molecular Formula: C22H20N4O2S2
• Molecular Weight: 436.56 g/mol
• Exact Mass: 436.10
• IUPAC Name: 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
• SMILES: Cc1ccc2nc(SCC(=O)NC(c3ccccc3)c3nccs3)n(C)c(=O)c2c1
• InChI: InChI=1S/C22H20N4O2S2/c1-14-8-9-17-16(12-14)21(28)26(2)22(24-17)30-13-18(27)25-19(20-23-10-11-29-20)15-6-4-3-5-7-15/h3-12,19H,13H2,1-2H3,(H,25,27)
• InChIKey: WINDECDDMCFJKS-UHFFFAOYSA-N
• XLogP: 3.70
• TPSA: 76.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.56
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?

The IUPAC name of 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide (CID 56568392) is 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide.

What is the SMILES notation for 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?

The canonical SMILES for 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide is Cc1ccc2nc(SCC(=O)NC(c3ccccc3)c3nccs3)n(C)c(=O)c2c1.

What is the InChIKey of 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?

The InChIKey is WINDECDDMCFJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S2/c1-14-8-9-17-16(12-14)21(28)26(2)22(24-17)30-13-18(27)25-19(20-23-10-11-29-20)15-6-4-3-5-7-15/h3-12,19H,13H2,1-2H3,(H,25,27).

What are the key properties of 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?

2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 436.56 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 56568392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).