(E)-N-(4-methyl-2-oxochromen-7-yl)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide

C24H20N2O4S — CID 16594577

About (E)-N-(4-methyl-2-oxochromen-7-yl)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide

(E)-N-(4-methyl-2-oxochromen-7-yl)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide (PubChem CID 16594577) has the molecular formula C24H20N2O4S and a molecular weight of 432.50 g/mol. Its IUPAC name is (E)-N-(4-methyl-2-oxochromen-7-yl)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: (E)-N-(4-methyl-2-oxochromen-7-yl)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
• PubChem CID: 16594577
• Molecular Formula: C24H20N2O4S
• Molecular Weight: 432.50 g/mol
• Exact Mass: 432.11
• IUPAC Name: (E)-N-(4-methyl-2-oxochromen-7-yl)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
• SMILES: Cc1nc(COc2cccc(/C=C/C(=O)Nc3ccc4c(C)cc(=O)oc4c3)c2)cs1
• InChI: InChI=1S/C24H20N2O4S/c1-15-10-24(28)30-22-12-18(7-8-21(15)22)26-23(27)9-6-17-4-3-5-20(11-17)29-13-19-14-31-16(2)25-19/h3-12,14H,13H2,1-2H3,(H,26,27)/b9-6+
• InChIKey: INYJJVLEMYFKOQ-RMKNXTFCSA-N
• XLogP: 5.10
• TPSA: 81.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.50
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-methyl-2-oxochromen-7-yl)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide?

The IUPAC name of (E)-N-(4-methyl-2-oxochromen-7-yl)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide (CID 16594577) is (E)-N-(4-methyl-2-oxochromen-7-yl)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide.

What is the SMILES notation for (E)-N-(4-methyl-2-oxochromen-7-yl)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide?

The canonical SMILES for (E)-N-(4-methyl-2-oxochromen-7-yl)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide is Cc1nc(COc2cccc(/C=C/C(=O)Nc3ccc4c(C)cc(=O)oc4c3)c2)cs1.

What is the InChIKey of (E)-N-(4-methyl-2-oxochromen-7-yl)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide?

The InChIKey is INYJJVLEMYFKOQ-RMKNXTFCSA-N. The full InChI is InChI=1S/C24H20N2O4S/c1-15-10-24(28)30-22-12-18(7-8-21(15)22)26-23(27)9-6-17-4-3-5-20(11-17)29-13-19-14-31-16(2)25-19/h3-12,14H,13H2,1-2H3,(H,26,27)/b9-6+.

What are the key properties of (E)-N-(4-methyl-2-oxochromen-7-yl)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide?

(E)-N-(4-methyl-2-oxochromen-7-yl)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide has a molecular weight of 432.50 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-(4-methyl-2-oxochromen-7-yl)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide is sourced from PubChem (CID 16594577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).