2-methyl-5-propan-2-yloxy-4-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methyl]aniline

C24H28N2OS — CID 144676340

About 2-methyl-5-propan-2-yloxy-4-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methyl]aniline

2-methyl-5-propan-2-yloxy-4-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methyl]aniline (PubChem CID 144676340) has the molecular formula C24H28N2OS and a molecular weight of 392.57 g/mol. Its IUPAC name is 2-methyl-5-propan-2-yloxy-4-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methyl]aniline.

Molecular Properties

• Compound Name: 2-methyl-5-propan-2-yloxy-4-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methyl]aniline
• PubChem CID: 144676340
• Molecular Formula: C24H28N2OS
• Molecular Weight: 392.57 g/mol
• Exact Mass: 392.19
• IUPAC Name: 2-methyl-5-propan-2-yloxy-4-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methyl]aniline
• SMILES: Cc1cc(Cc2nc(-c3ccc4c(c3)CCCC4)cs2)c(OC(C)C)cc1N
• InChI: InChI=1S/C24H28N2OS/c1-15(2)27-23-13-21(25)16(3)10-20(23)12-24-26-22(14-28-24)19-9-8-17-6-4-5-7-18(17)11-19/h8-11,13-15H,4-7,12,25H2,1-3H3
• InChIKey: WJMODMTVAHSDIY-UHFFFAOYSA-N
• XLogP: 5.96
• TPSA: 48.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	392.57
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-yloxy-4-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methyl]aniline?

The IUPAC name of 2-methyl-5-propan-2-yloxy-4-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methyl]aniline (CID 144676340) is 2-methyl-5-propan-2-yloxy-4-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methyl]aniline.

What is the SMILES notation for 2-methyl-5-propan-2-yloxy-4-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methyl]aniline?

The canonical SMILES for 2-methyl-5-propan-2-yloxy-4-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methyl]aniline is Cc1cc(Cc2nc(-c3ccc4c(c3)CCCC4)cs2)c(OC(C)C)cc1N.

What is the InChIKey of 2-methyl-5-propan-2-yloxy-4-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methyl]aniline?

The InChIKey is WJMODMTVAHSDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2OS/c1-15(2)27-23-13-21(25)16(3)10-20(23)12-24-26-22(14-28-24)19-9-8-17-6-4-5-7-18(17)11-19/h8-11,13-15H,4-7,12,25H2,1-3H3.

What are the key properties of 2-methyl-5-propan-2-yloxy-4-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methyl]aniline?

2-methyl-5-propan-2-yloxy-4-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methyl]aniline has a molecular weight of 392.57 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-5-propan-2-yloxy-4-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methyl]aniline is sourced from PubChem (CID 144676340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).