4-[(3-methoxyphenyl)methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]cyclohexan-1-ol

C19H26N2O2S — CID 75496937

About 4-[(3-methoxyphenyl)methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]cyclohexan-1-ol

4-[(3-methoxyphenyl)methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]cyclohexan-1-ol (PubChem CID 75496937) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is 4-[(3-methoxyphenyl)methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]cyclohexan-1-ol.

Molecular Properties

• Compound Name: 4-[(3-methoxyphenyl)methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]cyclohexan-1-ol
• PubChem CID: 75496937
• Molecular Formula: C19H26N2O2S
• Molecular Weight: 346.50 g/mol
• Exact Mass: 346.17
• IUPAC Name: 4-[(3-methoxyphenyl)methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]cyclohexan-1-ol
• SMILES: COc1cccc(CN(Cc2scnc2C)C2CCC(O)CC2)c1
• InChI: InChI=1S/C19H26N2O2S/c1-14-19(24-13-20-14)12-21(16-6-8-17(22)9-7-16)11-15-4-3-5-18(10-15)23-2/h3-5,10,13,16-17,22H,6-9,11-12H2,1-2H3
• InChIKey: WJFACSMOFJQRJD-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 45.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.50
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyphenyl)methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]cyclohexan-1-ol?

The IUPAC name of 4-[(3-methoxyphenyl)methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]cyclohexan-1-ol (CID 75496937) is 4-[(3-methoxyphenyl)methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]cyclohexan-1-ol.

What is the SMILES notation for 4-[(3-methoxyphenyl)methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]cyclohexan-1-ol?

The canonical SMILES for 4-[(3-methoxyphenyl)methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]cyclohexan-1-ol is COc1cccc(CN(Cc2scnc2C)C2CCC(O)CC2)c1.

What is the InChIKey of 4-[(3-methoxyphenyl)methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]cyclohexan-1-ol?

The InChIKey is WJFACSMOFJQRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-14-19(24-13-20-14)12-21(16-6-8-17(22)9-7-16)11-15-4-3-5-18(10-15)23-2/h3-5,10,13,16-17,22H,6-9,11-12H2,1-2H3.

What are the key properties of 4-[(3-methoxyphenyl)methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]cyclohexan-1-ol?

4-[(3-methoxyphenyl)methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]cyclohexan-1-ol has a molecular weight of 346.50 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3-methoxyphenyl)methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 75496937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).