6,7-diethoxy-N-[2-fluoro-5-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine

C22H21FN4O2S — CID 10002470

About 6,7-diethoxy-N-[2-fluoro-5-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine

6,7-diethoxy-N-[2-fluoro-5-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine (PubChem CID 10002470) has the molecular formula C22H21FN4O2S and a molecular weight of 424.50 g/mol. Its IUPAC name is 6,7-diethoxy-N-[2-fluoro-5-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine.

Molecular Properties

• Compound Name: 6,7-diethoxy-N-[2-fluoro-5-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine
• PubChem CID: 10002470
• Molecular Formula: C22H21FN4O2S
• Molecular Weight: 424.50 g/mol
• Exact Mass: 424.14
• IUPAC Name: 6,7-diethoxy-N-[2-fluoro-5-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine
• SMILES: CCOc1cc2ncnc(Nc3cc(-c4csc(C)n4)ccc3F)c2cc1OCC
• InChI: InChI=1S/C22H21FN4O2S/c1-4-28-20-9-15-17(10-21(20)29-5-2)24-12-25-22(15)27-18-8-14(6-7-16(18)23)19-11-30-13(3)26-19/h6-12H,4-5H2,1-3H3,(H,24,25,27)
• InChIKey: FGCCHIJKZXQJIY-UHFFFAOYSA-N
• XLogP: 5.74
• TPSA: 69.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.50
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6,7-diethoxy-N-[2-fluoro-5-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine?

The IUPAC name of 6,7-diethoxy-N-[2-fluoro-5-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine (CID 10002470) is 6,7-diethoxy-N-[2-fluoro-5-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine.

What is the SMILES notation for 6,7-diethoxy-N-[2-fluoro-5-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine?

The canonical SMILES for 6,7-diethoxy-N-[2-fluoro-5-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine is CCOc1cc2ncnc(Nc3cc(-c4csc(C)n4)ccc3F)c2cc1OCC.

What is the InChIKey of 6,7-diethoxy-N-[2-fluoro-5-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine?

The InChIKey is FGCCHIJKZXQJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2S/c1-4-28-20-9-15-17(10-21(20)29-5-2)24-12-25-22(15)27-18-8-14(6-7-16(18)23)19-11-30-13(3)26-19/h6-12H,4-5H2,1-3H3,(H,24,25,27).

What are the key properties of 6,7-diethoxy-N-[2-fluoro-5-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine?

6,7-diethoxy-N-[2-fluoro-5-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine has a molecular weight of 424.50 g/mol, XLogP of 5.74, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6,7-diethoxy-N-[2-fluoro-5-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 10002470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).