5-methoxy-1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidin-3-ol

C19H26N2O2S — CID 155969714

IUPAC5-methoxy-1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidin-3-ol
SMILESCOC1CC(O)CN(Cc2csc(-c3ccc(C(C)C)cc3)n2)C1
InChIInChI=1S/C19H26N2O2S/c1-13(2)14-4-6-15(7-5-14)19-20-16(12-24-19)9-21-10-17(22)8-18(11-21)23-3/h4-7,12-13,17-18,22H,8-11H2,1-3H3
InChIKeyAHVLKBVNPUQYRY-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.52
Rot. Bonds5

About 5-methoxy-1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidin-3-ol

5-methoxy-1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidin-3-ol (PubChem CID 155969714) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is 5-methoxy-1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name5-methoxy-1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidin-3-ol
PubChem CID155969714
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC Name5-methoxy-1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidin-3-ol
SMILESCOC1CC(O)CN(Cc2csc(-c3ccc(C(C)C)cc3)n2)C1
InChIInChI=1S/C19H26N2O2S/c1-13(2)14-4-6-15(7-5-14)19-20-16(12-24-19)9-21-10-17(22)8-18(11-21)23-3/h4-7,12-13,17-18,22H,8-11H2,1-3H3
InChIKeyAHVLKBVNPUQYRY-UHFFFAOYSA-N
XLogP3.52
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidin-3-ol?
The IUPAC name of 5-methoxy-1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidin-3-ol (CID 155969714) is 5-methoxy-1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidin-3-ol.
What is the SMILES notation for 5-methoxy-1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidin-3-ol?
The canonical SMILES for 5-methoxy-1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidin-3-ol is COC1CC(O)CN(Cc2csc(-c3ccc(C(C)C)cc3)n2)C1.
What is the InChIKey of 5-methoxy-1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidin-3-ol?
The InChIKey is AHVLKBVNPUQYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-13(2)14-4-6-15(7-5-14)19-20-16(12-24-19)9-21-10-17(22)8-18(11-21)23-3/h4-7,12-13,17-18,22H,8-11H2,1-3H3.
What are the key properties of 5-methoxy-1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidin-3-ol?
5-methoxy-1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidin-3-ol has a molecular weight of 346.50 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 155969714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).