1-[cyclohexyl(methyl)amino]-3-[2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]phenoxy]propan-2-ol

C22H33N3O2S — CID 45210215

About 1-[cyclohexyl(methyl)amino]-3-[2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]phenoxy]propan-2-ol

1-[cyclohexyl(methyl)amino]-3-[2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]phenoxy]propan-2-ol (PubChem CID 45210215) has the molecular formula C22H33N3O2S and a molecular weight of 403.59 g/mol. Its IUPAC name is 1-[cyclohexyl(methyl)amino]-3-[2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]phenoxy]propan-2-ol.

Molecular Properties

• Compound Name: 1-[cyclohexyl(methyl)amino]-3-[2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]phenoxy]propan-2-ol
• PubChem CID: 45210215
• Molecular Formula: C22H33N3O2S
• Molecular Weight: 403.59 g/mol
• Exact Mass: 403.23
• IUPAC Name: 1-[cyclohexyl(methyl)amino]-3-[2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]phenoxy]propan-2-ol
• SMILES: CN(Cc1nccs1)Cc1ccccc1OCC(O)CN(C)C1CCCCC1
• InChI: InChI=1S/C22H33N3O2S/c1-24(16-22-23-12-13-28-22)14-18-8-6-7-11-21(18)27-17-20(26)15-25(2)19-9-4-3-5-10-19/h6-8,11-13,19-20,26H,3-5,9-10,14-17H2,1-2H3
• InChIKey: UQAVEWSZATZHEC-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 48.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.59
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl(methyl)amino]-3-[2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]phenoxy]propan-2-ol?

The IUPAC name of 1-[cyclohexyl(methyl)amino]-3-[2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]phenoxy]propan-2-ol (CID 45210215) is 1-[cyclohexyl(methyl)amino]-3-[2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]phenoxy]propan-2-ol.

What is the SMILES notation for 1-[cyclohexyl(methyl)amino]-3-[2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]phenoxy]propan-2-ol?

The canonical SMILES for 1-[cyclohexyl(methyl)amino]-3-[2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]phenoxy]propan-2-ol is CN(Cc1nccs1)Cc1ccccc1OCC(O)CN(C)C1CCCCC1.

What is the InChIKey of 1-[cyclohexyl(methyl)amino]-3-[2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]phenoxy]propan-2-ol?

The InChIKey is UQAVEWSZATZHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2S/c1-24(16-22-23-12-13-28-22)14-18-8-6-7-11-21(18)27-17-20(26)15-25(2)19-9-4-3-5-10-19/h6-8,11-13,19-20,26H,3-5,9-10,14-17H2,1-2H3.

What are the key properties of 1-[cyclohexyl(methyl)amino]-3-[2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]phenoxy]propan-2-ol?

1-[cyclohexyl(methyl)amino]-3-[2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]phenoxy]propan-2-ol has a molecular weight of 403.59 g/mol, XLogP of 3.78, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[cyclohexyl(methyl)amino]-3-[2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]phenoxy]propan-2-ol is sourced from PubChem (CID 45210215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).