1-benzyl-4-[5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidin-4-ol

C22H24N2OS — CID 127030165

IUPAC1-benzyl-4-[5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidin-4-ol
SMILESCc1ccc(-c2cnc(C3(O)CCN(Cc4ccccc4)CC3)s2)cc1
InChIInChI=1S/C22H24N2OS/c1-17-7-9-19(10-8-17)20-15-23-21(26-20)22(25)11-13-24(14-12-22)16-18-5-3-2-4-6-18/h2-10,15,25H,11-14,16H2,1H3
InChIKeyAUPLREMIGCVQPZ-UHFFFAOYSA-N
MW364.51 g/mol
LogP4.60
Rot. Bonds4

About 1-benzyl-4-[5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidin-4-ol

1-benzyl-4-[5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidin-4-ol (PubChem CID 127030165) has the molecular formula C22H24N2OS and a molecular weight of 364.51 g/mol. Its IUPAC name is 1-benzyl-4-[5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-benzyl-4-[5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidin-4-ol
PubChem CID127030165
Molecular FormulaC22H24N2OS
Molecular Weight364.51 g/mol
Exact Mass364.16
IUPAC Name1-benzyl-4-[5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidin-4-ol
SMILESCc1ccc(-c2cnc(C3(O)CCN(Cc4ccccc4)CC3)s2)cc1
InChIInChI=1S/C22H24N2OS/c1-17-7-9-19(10-8-17)20-15-23-21(26-20)22(25)11-13-24(14-12-22)16-18-5-3-2-4-6-18/h2-10,15,25H,11-14,16H2,1H3
InChIKeyAUPLREMIGCVQPZ-UHFFFAOYSA-N
XLogP4.60
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidin-4-ol?
The IUPAC name of 1-benzyl-4-[5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidin-4-ol (CID 127030165) is 1-benzyl-4-[5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidin-4-ol.
What is the SMILES notation for 1-benzyl-4-[5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidin-4-ol?
The canonical SMILES for 1-benzyl-4-[5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidin-4-ol is Cc1ccc(-c2cnc(C3(O)CCN(Cc4ccccc4)CC3)s2)cc1.
What is the InChIKey of 1-benzyl-4-[5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidin-4-ol?
The InChIKey is AUPLREMIGCVQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2OS/c1-17-7-9-19(10-8-17)20-15-23-21(26-20)22(25)11-13-24(14-12-22)16-18-5-3-2-4-6-18/h2-10,15,25H,11-14,16H2,1H3.
What are the key properties of 1-benzyl-4-[5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidin-4-ol?
1-benzyl-4-[5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidin-4-ol has a molecular weight of 364.51 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidin-4-ol is sourced from PubChem (CID 127030165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).