N-[2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-4-oxochromene-2-carboxamide

C25H20N4O4S — CID 25282094

About N-[2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-4-oxochromene-2-carboxamide

N-[2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-4-oxochromene-2-carboxamide (PubChem CID 25282094) has the molecular formula C25H20N4O4S and a molecular weight of 472.53 g/mol. Its IUPAC name is N-[2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-4-oxochromene-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-4-oxochromene-2-carboxamide
• PubChem CID: 25282094
• Molecular Formula: C25H20N4O4S
• Molecular Weight: 472.53 g/mol
• Exact Mass: 472.12
• IUPAC Name: N-[2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-4-oxochromene-2-carboxamide
• SMILES: CCOc1ccc(-c2csc(-n3nc(C)cc3NC(=O)c3cc(=O)c4ccccc4o3)n2)cc1
• InChI: InChI=1S/C25H20N4O4S/c1-3-32-17-10-8-16(9-11-17)19-14-34-25(26-19)29-23(12-15(2)28-29)27-24(31)22-13-20(30)18-6-4-5-7-21(18)33-22/h4-14H,3H2,1-2H3,(H,27,31)
• InChIKey: ZRXXOFVMUAGGSY-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 99.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.53
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-4-oxochromene-2-carboxamide?

The IUPAC name of N-[2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-4-oxochromene-2-carboxamide (CID 25282094) is N-[2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-4-oxochromene-2-carboxamide.

What is the SMILES notation for N-[2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-4-oxochromene-2-carboxamide?

The canonical SMILES for N-[2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-4-oxochromene-2-carboxamide is CCOc1ccc(-c2csc(-n3nc(C)cc3NC(=O)c3cc(=O)c4ccccc4o3)n2)cc1.

What is the InChIKey of N-[2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-4-oxochromene-2-carboxamide?

The InChIKey is ZRXXOFVMUAGGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O4S/c1-3-32-17-10-8-16(9-11-17)19-14-34-25(26-19)29-23(12-15(2)28-29)27-24(31)22-13-20(30)18-6-4-5-7-21(18)33-22/h4-14H,3H2,1-2H3,(H,27,31).

What are the key properties of N-[2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-4-oxochromene-2-carboxamide?

N-[2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-4-oxochromene-2-carboxamide has a molecular weight of 472.53 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 25282094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).