[1-[2-(4-ethylphenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-phenylmethanone

C24H24N2O2S — CID 24680878

IUPAC[1-[2-(4-ethylphenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-phenylmethanone
SMILESCCc1ccc(-c2nc(C(=O)N3CCC(C(=O)c4ccccc4)CC3)cs2)cc1
InChIInChI=1S/C24H24N2O2S/c1-2-17-8-10-20(11-9-17)23-25-21(16-29-23)24(28)26-14-12-19(13-15-26)22(27)18-6-4-3-5-7-18/h3-11,16,19H,2,12-15H2,1H3
InChIKeyBQFUJINUMNKWPO-UHFFFAOYSA-N
MW404.54 g/mol
LogP5.11
Rot. Bonds5

About [1-[2-(4-ethylphenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-phenylmethanone

[1-[2-(4-ethylphenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-phenylmethanone (PubChem CID 24680878) has the molecular formula C24H24N2O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is [1-[2-(4-ethylphenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-[2-(4-ethylphenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-phenylmethanone
PubChem CID24680878
Molecular FormulaC24H24N2O2S
Molecular Weight404.54 g/mol
Exact Mass404.16
IUPAC Name[1-[2-(4-ethylphenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-phenylmethanone
SMILESCCc1ccc(-c2nc(C(=O)N3CCC(C(=O)c4ccccc4)CC3)cs2)cc1
InChIInChI=1S/C24H24N2O2S/c1-2-17-8-10-20(11-9-17)23-25-21(16-29-23)24(28)26-14-12-19(13-15-26)22(27)18-6-4-3-5-7-18/h3-11,16,19H,2,12-15H2,1H3
InChIKeyBQFUJINUMNKWPO-UHFFFAOYSA-N
XLogP5.11
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.54
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51286859
[4-(methylaminomethyl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 119546686
2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid
CID 4962607
phenyl-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
CID 16605883
N-[1-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide
CID 34424164
[4-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-phenylmethanone
CID 9348379
[1-[2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone
CID 24615487
ethyl 1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate
CID 36710487
[2-(4-methylphenyl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
CID 17474442
(3,5-dimethylpiperidin-1-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 51204784
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 26643733
1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119166599

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-ethylphenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-phenylmethanone?
The IUPAC name of [1-[2-(4-ethylphenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-phenylmethanone (CID 24680878) is [1-[2-(4-ethylphenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-phenylmethanone.
What is the SMILES notation for [1-[2-(4-ethylphenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-phenylmethanone?
The canonical SMILES for [1-[2-(4-ethylphenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-phenylmethanone is CCc1ccc(-c2nc(C(=O)N3CCC(C(=O)c4ccccc4)CC3)cs2)cc1.
What is the InChIKey of [1-[2-(4-ethylphenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-phenylmethanone?
The InChIKey is BQFUJINUMNKWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2S/c1-2-17-8-10-20(11-9-17)23-25-21(16-29-23)24(28)26-14-12-19(13-15-26)22(27)18-6-4-3-5-7-18/h3-11,16,19H,2,12-15H2,1H3.
What are the key properties of [1-[2-(4-ethylphenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-phenylmethanone?
[1-[2-(4-ethylphenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-phenylmethanone has a molecular weight of 404.54 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-ethylphenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-phenylmethanone is sourced from PubChem (CID 24680878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).