[1-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-diphenylmethanol

C29H30N2O2S — CID 90316479

IUPAC[1-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-diphenylmethanol
SMILESCCOc1ccc(-c2csc(N3CCC(C(O)(c4ccccc4)c4ccccc4)CC3)n2)cc1
InChIInChI=1S/C29H30N2O2S/c1-2-33-26-15-13-22(14-16-26)27-21-34-28(30-27)31-19-17-25(18-20-31)29(32,23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-16,21,25,32H,2,17-20H2,1H3
InChIKeyGJCCZPUDEVAEPH-UHFFFAOYSA-N
MW470.64 g/mol
LogP6.36
Rot. Bonds7

About [1-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-diphenylmethanol

[1-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-diphenylmethanol (PubChem CID 90316479) has the molecular formula C29H30N2O2S and a molecular weight of 470.64 g/mol. Its IUPAC name is [1-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-diphenylmethanol.

Molecular Properties

Compound Name[1-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-diphenylmethanol
PubChem CID90316479
Molecular FormulaC29H30N2O2S
Molecular Weight470.64 g/mol
Exact Mass470.20
IUPAC Name[1-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-diphenylmethanol
SMILESCCOc1ccc(-c2csc(N3CCC(C(O)(c4ccccc4)c4ccccc4)CC3)n2)cc1
InChIInChI=1S/C29H30N2O2S/c1-2-33-26-15-13-22(14-16-26)27-21-34-28(30-27)31-19-17-25(18-20-31)29(32,23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-16,21,25,32H,2,17-20H2,1H3
InChIKeyGJCCZPUDEVAEPH-UHFFFAOYSA-N
XLogP6.36
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.64
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-4-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
CID 3223682
N-(4-ethoxyphenyl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide
CID 1447422
ethyl 4-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethoxy]benzoate
CID 142759916
4-phenyl-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole
CID 14573306
2-(4-ethoxypiperidin-1-yl)-4-(4-fluorophenyl)-1,3-thiazole
CID 133371636
2-(4-ethylpiperazin-1-yl)-4-phenyl-1,3-thiazole
CID 102103813
N-(4-ethoxyphenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide
CID 1438337
2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole
CID 1477904
1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907711
ethyl 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
CID 676265
N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]acetamide
CID 133278132
9-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]nonanoic acid
CID 171565171

Frequently Asked Questions

What is the IUPAC name of [1-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-diphenylmethanol?
The IUPAC name of [1-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-diphenylmethanol (CID 90316479) is [1-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-diphenylmethanol.
What is the SMILES notation for [1-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-diphenylmethanol?
The canonical SMILES for [1-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-diphenylmethanol is CCOc1ccc(-c2csc(N3CCC(C(O)(c4ccccc4)c4ccccc4)CC3)n2)cc1.
What is the InChIKey of [1-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-diphenylmethanol?
The InChIKey is GJCCZPUDEVAEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O2S/c1-2-33-26-15-13-22(14-16-26)27-21-34-28(30-27)31-19-17-25(18-20-31)29(32,23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-16,21,25,32H,2,17-20H2,1H3.
What are the key properties of [1-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-diphenylmethanol?
[1-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-diphenylmethanol has a molecular weight of 470.64 g/mol, XLogP of 6.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-diphenylmethanol is sourced from PubChem (CID 90316479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).