2-[(4-oxo-3H-quinazolin-2-yl)methoxy]-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide

C23H22N4O3S — CID 135894096

About 2-[(4-oxo-3H-quinazolin-2-yl)methoxy]-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide

2-[(4-oxo-3H-quinazolin-2-yl)methoxy]-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 135894096) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is 2-[(4-oxo-3H-quinazolin-2-yl)methoxy]-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[(4-oxo-3H-quinazolin-2-yl)methoxy]-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide
• PubChem CID: 135894096
• Molecular Formula: C23H22N4O3S
• Molecular Weight: 434.52 g/mol
• Exact Mass: 434.14
• IUPAC Name: 2-[(4-oxo-3H-quinazolin-2-yl)methoxy]-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide
• SMILES: CC(C)c1ccc(-c2csc(NC(=O)COCc3nc4ccccc4c(=O)[nH]3)n2)cc1
• InChI: InChI=1S/C23H22N4O3S/c1-14(2)15-7-9-16(10-8-15)19-13-31-23(25-19)27-21(28)12-30-11-20-24-18-6-4-3-5-17(18)22(29)26-20/h3-10,13-14H,11-12H2,1-2H3,(H,24,26,29)(H,25,27,28)
• InChIKey: GLMXGPZPEBLTCW-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 96.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.52
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(4-oxo-3H-quinazolin-2-yl)methoxy]-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide?

The IUPAC name of 2-[(4-oxo-3H-quinazolin-2-yl)methoxy]-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide (CID 135894096) is 2-[(4-oxo-3H-quinazolin-2-yl)methoxy]-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for 2-[(4-oxo-3H-quinazolin-2-yl)methoxy]-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for 2-[(4-oxo-3H-quinazolin-2-yl)methoxy]-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide is CC(C)c1ccc(-c2csc(NC(=O)COCc3nc4ccccc4c(=O)[nH]3)n2)cc1.

What is the InChIKey of 2-[(4-oxo-3H-quinazolin-2-yl)methoxy]-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide?

The InChIKey is GLMXGPZPEBLTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-14(2)15-7-9-16(10-8-15)19-13-31-23(25-19)27-21(28)12-30-11-20-24-18-6-4-3-5-17(18)22(29)26-20/h3-10,13-14H,11-12H2,1-2H3,(H,24,26,29)(H,25,27,28).

What are the key properties of 2-[(4-oxo-3H-quinazolin-2-yl)methoxy]-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide?

2-[(4-oxo-3H-quinazolin-2-yl)methoxy]-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 434.52 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-oxo-3H-quinazolin-2-yl)methoxy]-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 135894096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).