2-[3-(4-ethoxyphenyl)phenyl]-4-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazole

C29H30N2OS — CID 24720751

IUPAC2-[3-(4-ethoxyphenyl)phenyl]-4-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazole
SMILESCCOc1ccc(-c2cccc(-c3nc(CN4CCC(c5ccccc5)CC4)cs3)c2)cc1
InChIInChI=1S/C29H30N2OS/c1-2-32-28-13-11-23(12-14-28)25-9-6-10-26(19-25)29-30-27(21-33-29)20-31-17-15-24(16-18-31)22-7-4-3-5-8-22/h3-14,19,21,24H,2,15-18,20H2,1H3
InChIKeyPCYIKJWFVZZAPG-UHFFFAOYSA-N
MW454.64 g/mol
LogP7.26
Rot. Bonds7

About 2-[3-(4-ethoxyphenyl)phenyl]-4-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazole

2-[3-(4-ethoxyphenyl)phenyl]-4-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazole (PubChem CID 24720751) has the molecular formula C29H30N2OS and a molecular weight of 454.64 g/mol. Its IUPAC name is 2-[3-(4-ethoxyphenyl)phenyl]-4-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[3-(4-ethoxyphenyl)phenyl]-4-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazole
PubChem CID24720751
Molecular FormulaC29H30N2OS
Molecular Weight454.64 g/mol
Exact Mass454.21
IUPAC Name2-[3-(4-ethoxyphenyl)phenyl]-4-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazole
SMILESCCOc1ccc(-c2cccc(-c3nc(CN4CCC(c5ccccc5)CC4)cs3)c2)cc1
InChIInChI=1S/C29H30N2OS/c1-2-32-28-13-11-23(12-14-28)25-9-6-10-26(19-25)29-30-27(21-33-29)20-31-17-15-24(16-18-31)22-7-4-3-5-8-22/h3-14,19,21,24H,2,15-18,20H2,1H3
InChIKeyPCYIKJWFVZZAPG-UHFFFAOYSA-N
XLogP7.26
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.64
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-(4-ethoxyphenyl)phenyl]-4-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazole with MolForge

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Related Compounds

1-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 78788253
4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-(3-methoxyphenyl)-1,3-thiazole
CID 146087786
8-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 55591032
1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid
CID 119907156
[1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]-phenylmethanone
CID 51326235
2-ethyl-4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-1,3-thiazole
CID 95338960
N-[[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 61281646
4-[[3-[2-(4-tert-butylphenyl)ethyl]piperidin-1-yl]methyl]-2-[3-(3-ethoxyphenyl)phenyl]-1,3-thiazole
CID 46101047
2-phenyl-6-[(4-phenylpiperidin-1-yl)methyl]pyridine
CID 19863623
1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-ol
CID 33186793
4-(bromomethyl)-2-(3-ethoxyphenyl)-1,3-thiazole
CID 82516061
2-(3-methylphenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 22197561

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethoxyphenyl)phenyl]-4-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-[3-(4-ethoxyphenyl)phenyl]-4-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazole (CID 24720751) is 2-[3-(4-ethoxyphenyl)phenyl]-4-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-[3-(4-ethoxyphenyl)phenyl]-4-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-[3-(4-ethoxyphenyl)phenyl]-4-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazole is CCOc1ccc(-c2cccc(-c3nc(CN4CCC(c5ccccc5)CC4)cs3)c2)cc1.
What is the InChIKey of 2-[3-(4-ethoxyphenyl)phenyl]-4-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazole?
The InChIKey is PCYIKJWFVZZAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2OS/c1-2-32-28-13-11-23(12-14-28)25-9-6-10-26(19-25)29-30-27(21-33-29)20-31-17-15-24(16-18-31)22-7-4-3-5-8-22/h3-14,19,21,24H,2,15-18,20H2,1H3.
What are the key properties of 2-[3-(4-ethoxyphenyl)phenyl]-4-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazole?
2-[3-(4-ethoxyphenyl)phenyl]-4-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazole has a molecular weight of 454.64 g/mol, XLogP of 7.26, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethoxyphenyl)phenyl]-4-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 24720751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).