3-(8-methyl-4-oxoquinazolin-3-yl)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]propanamide

C22H20N4O2S2 — CID 55811016

About 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]propanamide

3-(8-methyl-4-oxoquinazolin-3-yl)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]propanamide (PubChem CID 55811016) has the molecular formula C22H20N4O2S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]propanamide.

Molecular Properties

• Compound Name: 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]propanamide
• PubChem CID: 55811016
• Molecular Formula: C22H20N4O2S2
• Molecular Weight: 436.56 g/mol
• Exact Mass: 436.10
• IUPAC Name: 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]propanamide
• SMILES: Cc1csc(Sc2ccc(NC(=O)CCn3cnc4c(C)cccc4c3=O)cc2)n1
• InChI: InChI=1S/C22H20N4O2S2/c1-14-4-3-5-18-20(14)23-13-26(21(18)28)11-10-19(27)25-16-6-8-17(9-7-16)30-22-24-15(2)12-29-22/h3-9,12-13H,10-11H2,1-2H3,(H,25,27)
• InChIKey: LWVNJQWYZDFGCJ-UHFFFAOYSA-N
• XLogP: 4.65
• 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	4.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]propanamide?

The IUPAC name of 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]propanamide (CID 55811016) is 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]propanamide.

What is the SMILES notation for 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]propanamide?

The canonical SMILES for 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]propanamide is Cc1csc(Sc2ccc(NC(=O)CCn3cnc4c(C)cccc4c3=O)cc2)n1.

What is the InChIKey of 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]propanamide?

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

What are the key properties of 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]propanamide?

3-(8-methyl-4-oxoquinazolin-3-yl)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]propanamide has a molecular weight of 436.56 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]propanamide is sourced from PubChem (CID 55811016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).