[1-[2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone

C25H26N2O3S — CID 24615487

IUPAC[1-[2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone
SMILESCCc1ccc(-c2nc(C)c(C(=O)N3CCC(C(=O)c4ccc(O)cc4)CC3)s2)cc1
InChIInChI=1S/C25H26N2O3S/c1-3-17-4-6-20(7-5-17)24-26-16(2)23(31-24)25(30)27-14-12-19(13-15-27)22(29)18-8-10-21(28)11-9-18/h4-11,19,28H,3,12-15H2,1-2H3
InChIKeyUBFNXCBULFEROI-UHFFFAOYSA-N
MW434.56 g/mol
LogP5.12
Rot. Bonds5

About [1-[2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone

[1-[2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone (PubChem CID 24615487) has the molecular formula C25H26N2O3S and a molecular weight of 434.56 g/mol. Its IUPAC name is [1-[2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[1-[2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone
PubChem CID24615487
Molecular FormulaC25H26N2O3S
Molecular Weight434.56 g/mol
Exact Mass434.17
IUPAC Name[1-[2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone
SMILESCCc1ccc(-c2nc(C)c(C(=O)N3CCC(C(=O)c4ccc(O)cc4)CC3)s2)cc1
InChIInChI=1S/C25H26N2O3S/c1-3-17-4-6-20(7-5-17)24-26-16(2)23(31-24)25(30)27-14-12-19(13-15-27)22(29)18-8-10-21(28)11-9-18/h4-11,19,28H,3,12-15H2,1-2H3
InChIKeyUBFNXCBULFEROI-UHFFFAOYSA-N
XLogP5.12
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.56
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 59338445
ethyl 1-(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate
CID 39080805
N-[(4-ethylphenyl)methyl]-2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide
CID 53103705
[1-[2-(4-ethylphenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-phenylmethanone
CID 24680878
2-(4-ethylphenyl)-4-methyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 46467041
[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 110888004
(4-benzylsulfonylpiperazin-1-yl)-[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 27757478
(4-methylpiperidin-1-yl)-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
CID 39080812
[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
CID 86940940
[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 26718598
2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetic acid
CID 119177854
[4-(1-aminoethyl)piperidin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 119519108

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone?
The IUPAC name of [1-[2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone (CID 24615487) is [1-[2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone.
What is the SMILES notation for [1-[2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone?
The canonical SMILES for [1-[2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone is CCc1ccc(-c2nc(C)c(C(=O)N3CCC(C(=O)c4ccc(O)cc4)CC3)s2)cc1.
What is the InChIKey of [1-[2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone?
The InChIKey is UBFNXCBULFEROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3S/c1-3-17-4-6-20(7-5-17)24-26-16(2)23(31-24)25(30)27-14-12-19(13-15-27)22(29)18-8-10-21(28)11-9-18/h4-11,19,28H,3,12-15H2,1-2H3.
What are the key properties of [1-[2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone?
[1-[2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone has a molecular weight of 434.56 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 24615487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).