N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide

C25H22N2O5S — CID 19204661

About N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide

N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide (PubChem CID 19204661) has the molecular formula C25H22N2O5S and a molecular weight of 462.53 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide.

Molecular Properties

• Compound Name: N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide
• PubChem CID: 19204661
• Molecular Formula: C25H22N2O5S
• Molecular Weight: 462.53 g/mol
• Exact Mass: 462.12
• IUPAC Name: N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide
• SMILES: COc1ccc(-c2nc(NC(=O)COc3ccc4c5c(c(=O)oc4c3)CCC5)sc2C)cc1
• InChI: InChI=1S/C25H22N2O5S/c1-14-23(15-6-8-16(30-2)9-7-15)27-25(33-14)26-22(28)13-31-17-10-11-19-18-4-3-5-20(18)24(29)32-21(19)12-17/h6-12H,3-5,13H2,1-2H3,(H,26,27,28)
• InChIKey: BSUNGAMVWOUYCR-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 90.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.53
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cumarine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide?

The IUPAC name of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide (CID 19204661) is N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide.

What is the SMILES notation for N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide?

The canonical SMILES for N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide is COc1ccc(-c2nc(NC(=O)COc3ccc4c5c(c(=O)oc4c3)CCC5)sc2C)cc1.

What is the InChIKey of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide?

The InChIKey is BSUNGAMVWOUYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O5S/c1-14-23(15-6-8-16(30-2)9-7-15)27-25(33-14)26-22(28)13-31-17-10-11-19-18-4-3-5-20(18)24(29)32-21(19)12-17/h6-12H,3-5,13H2,1-2H3,(H,26,27,28).

What are the key properties of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide?

N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide has a molecular weight of 462.53 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide is sourced from PubChem (CID 19204661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).