(E)-3-(2,4-dimethoxyphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]prop-2-enamide

C24H24N2O3S — CID 19227109

About (E)-3-(2,4-dimethoxyphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]prop-2-enamide

(E)-3-(2,4-dimethoxyphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]prop-2-enamide (PubChem CID 19227109) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is (E)-3-(2,4-dimethoxyphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]prop-2-enamide.

Molecular Properties

• Compound Name: (E)-3-(2,4-dimethoxyphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]prop-2-enamide
• PubChem CID: 19227109
• Molecular Formula: C24H24N2O3S
• Molecular Weight: 420.53 g/mol
• Exact Mass: 420.15
• IUPAC Name: (E)-3-(2,4-dimethoxyphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]prop-2-enamide
• SMILES: COc1ccc(/C=C/C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)c(OC)c1
• InChI: InChI=1S/C24H24N2O3S/c1-28-20-11-9-17(22(14-20)29-2)10-12-23(27)26-24-25-21(15-30-24)19-8-7-16-5-3-4-6-18(16)13-19/h7-15H,3-6H2,1-2H3,(H,25,26,27)/b12-10+
• InChIKey: NHOXFGOXOKSXKW-ZRDIBKRKSA-N
• XLogP: 5.36
• TPSA: 60.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.53
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dimethoxyphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]prop-2-enamide?

The IUPAC name of (E)-3-(2,4-dimethoxyphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]prop-2-enamide (CID 19227109) is (E)-3-(2,4-dimethoxyphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]prop-2-enamide.

What is the SMILES notation for (E)-3-(2,4-dimethoxyphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]prop-2-enamide?

The canonical SMILES for (E)-3-(2,4-dimethoxyphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)c(OC)c1.

What is the InChIKey of (E)-3-(2,4-dimethoxyphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]prop-2-enamide?

The InChIKey is NHOXFGOXOKSXKW-ZRDIBKRKSA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-28-20-11-9-17(22(14-20)29-2)10-12-23(27)26-24-25-21(15-30-24)19-8-7-16-5-3-4-6-18(16)13-19/h7-15H,3-6H2,1-2H3,(H,25,26,27)/b12-10+.

What are the key properties of (E)-3-(2,4-dimethoxyphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]prop-2-enamide?

(E)-3-(2,4-dimethoxyphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]prop-2-enamide has a molecular weight of 420.53 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3-(2,4-dimethoxyphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]prop-2-enamide is sourced from PubChem (CID 19227109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).