[1-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]-phenylmethanol

C23H25BrN2O2S — CID 55702121

IUPAC[1-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]-phenylmethanol
SMILESCOc1ccc(Br)cc1-c1nc(CN2CCC(C(O)c3ccccc3)CC2)cs1
InChIInChI=1S/C23H25BrN2O2S/c1-28-21-8-7-18(24)13-20(21)23-25-19(15-29-23)14-26-11-9-17(10-12-26)22(27)16-5-3-2-4-6-16/h2-8,13,15,17,22,27H,9-12,14H2,1H3
InChIKeyLVSVFWLSWYUKGF-UHFFFAOYSA-N
MW473.44 g/mol
LogP5.53
Rot. Bonds6

About [1-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]-phenylmethanol

[1-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]-phenylmethanol (PubChem CID 55702121) has the molecular formula C23H25BrN2O2S and a molecular weight of 473.44 g/mol. Its IUPAC name is [1-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]-phenylmethanol.

Molecular Properties

Compound Name[1-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]-phenylmethanol
PubChem CID55702121
Molecular FormulaC23H25BrN2O2S
Molecular Weight473.44 g/mol
Exact Mass472.08
IUPAC Name[1-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]-phenylmethanol
SMILESCOc1ccc(Br)cc1-c1nc(CN2CCC(C(O)c3ccccc3)CC2)cs1
InChIInChI=1S/C23H25BrN2O2S/c1-28-21-8-7-18(24)13-20(21)23-25-19(15-29-23)14-26-11-9-17(10-12-26)22(27)16-5-3-2-4-6-16/h2-8,13,15,17,22,27H,9-12,14H2,1H3
InChIKeyLVSVFWLSWYUKGF-UHFFFAOYSA-N
XLogP5.53
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.44
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]-phenylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-cyclopropyl-1-phenylmethanamine
CID 112806604
1-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidin-3-amine
CID 119918222
[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-phenylmethanol
CID 139008684
[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]-phenylmethanol
CID 111432875
[1-[(4-methoxy-3-nitrophenyl)methyl]piperidin-4-yl]-phenylmethanol
CID 87013412
[1-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]-phenylmethanone
CID 16605901
N-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 60671972
phenyl-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanol
CID 110906747
3-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]propan-1-amine
CID 116888272
2-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116888128
3-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]propanoic acid
CID 119911824
1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-ol
CID 33186793

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]-phenylmethanol?
The IUPAC name of [1-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]-phenylmethanol (CID 55702121) is [1-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]-phenylmethanol.
What is the SMILES notation for [1-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]-phenylmethanol?
The canonical SMILES for [1-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]-phenylmethanol is COc1ccc(Br)cc1-c1nc(CN2CCC(C(O)c3ccccc3)CC2)cs1.
What is the InChIKey of [1-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]-phenylmethanol?
The InChIKey is LVSVFWLSWYUKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrN2O2S/c1-28-21-8-7-18(24)13-20(21)23-25-19(15-29-23)14-26-11-9-17(10-12-26)22(27)16-5-3-2-4-6-16/h2-8,13,15,17,22,27H,9-12,14H2,1H3.
What are the key properties of [1-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]-phenylmethanol?
[1-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]-phenylmethanol has a molecular weight of 473.44 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]-phenylmethanol is sourced from PubChem (CID 55702121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).