2-[(2-methylpropan-2-yl)oxy]-1-[4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanol

C22H30N6O3S — CID 134199996

About 2-[(2-methylpropan-2-yl)oxy]-1-[4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanol

2-[(2-methylpropan-2-yl)oxy]-1-[4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanol (PubChem CID 134199996) has the molecular formula C22H30N6O3S and a molecular weight of 458.59 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-1-[4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanol.

Molecular Properties

• Compound Name: 2-[(2-methylpropan-2-yl)oxy]-1-[4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanol
• PubChem CID: 134199996
• Molecular Formula: C22H30N6O3S
• Molecular Weight: 458.59 g/mol
• Exact Mass: 458.21
• IUPAC Name: 2-[(2-methylpropan-2-yl)oxy]-1-[4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanol
• SMILES: CC(C)(C)OCC(O)N1CCC(c2nc(COc3ccc(-n4cnnn4)cc3)cs2)CC1
• InChI: InChI=1S/C22H30N6O3S/c1-22(2,3)31-13-20(29)27-10-8-16(9-11-27)21-24-17(14-32-21)12-30-19-6-4-18(5-7-19)28-15-23-25-26-28/h4-7,14-16,20,29H,8-13H2,1-3H3
• InChIKey: PEVSSULAUIWYSD-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 98.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.59
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-1-[4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanol?

The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-1-[4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanol (CID 134199996) is 2-[(2-methylpropan-2-yl)oxy]-1-[4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanol.

What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-1-[4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanol?

The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-1-[4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanol is CC(C)(C)OCC(O)N1CCC(c2nc(COc3ccc(-n4cnnn4)cc3)cs2)CC1.

What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-1-[4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanol?

The InChIKey is PEVSSULAUIWYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O3S/c1-22(2,3)31-13-20(29)27-10-8-16(9-11-27)21-24-17(14-32-21)12-30-19-6-4-18(5-7-19)28-15-23-25-26-28/h4-7,14-16,20,29H,8-13H2,1-3H3.

What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-1-[4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanol?

2-[(2-methylpropan-2-yl)oxy]-1-[4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanol has a molecular weight of 458.59 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-methylpropan-2-yl)oxy]-1-[4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanol is sourced from PubChem (CID 134199996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).