N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetamide

C25H21ClN2O5S — CID 1413369

About N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetamide

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetamide (PubChem CID 1413369) has the molecular formula C25H21ClN2O5S and a molecular weight of 496.97 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetamide.

Molecular Properties

• Compound Name: N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetamide
• PubChem CID: 1413369
• Molecular Formula: C25H21ClN2O5S
• Molecular Weight: 496.97 g/mol
• Exact Mass: 496.09
• IUPAC Name: N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetamide
• SMILES: CC(=O)c1sc(NC(=O)COc2c(-c3ccccc3Cl)oc3cc(C)cc(C)c3c2=O)nc1C
• InChI: InChI=1S/C25H21ClN2O5S/c1-12-9-13(2)20-18(10-12)33-22(16-7-5-6-8-17(16)26)23(21(20)31)32-11-19(30)28-25-27-14(3)24(34-25)15(4)29/h5-10H,11H2,1-4H3,(H,27,28,30)
• InChIKey: QHKSARWROHFWPT-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 98.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.97
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetamide?

The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetamide (CID 1413369) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetamide.

What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetamide?

The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetamide is CC(=O)c1sc(NC(=O)COc2c(-c3ccccc3Cl)oc3cc(C)cc(C)c3c2=O)nc1C.

What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetamide?

The InChIKey is QHKSARWROHFWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O5S/c1-12-9-13(2)20-18(10-12)33-22(16-7-5-6-8-17(16)26)23(21(20)31)32-11-19(30)28-25-27-14(3)24(34-25)15(4)29/h5-10H,11H2,1-4H3,(H,27,28,30).

What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetamide?

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetamide has a molecular weight of 496.97 g/mol, XLogP of 5.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetamide is sourced from PubChem (CID 1413369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).