[1-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone

C23H23ClN2O2S — CID 86983823

IUPAC[1-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)C1CCN(Cc2csc(Cc3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C23H23ClN2O2S/c24-19-5-1-16(2-6-19)13-22-25-20(15-29-22)14-26-11-9-18(10-12-26)23(28)17-3-7-21(27)8-4-17/h1-8,15,18,27H,9-14H2
InChIKeyIJPREJBUMVEZNE-UHFFFAOYSA-N
MW426.97 g/mol
LogP5.19
Rot. Bonds6

About [1-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone

[1-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone (PubChem CID 86983823) has the molecular formula C23H23ClN2O2S and a molecular weight of 426.97 g/mol. Its IUPAC name is [1-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[1-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone
PubChem CID86983823
Molecular FormulaC23H23ClN2O2S
Molecular Weight426.97 g/mol
Exact Mass426.12
IUPAC Name[1-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)C1CCN(Cc2csc(Cc3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C23H23ClN2O2S/c24-19-5-1-16(2-6-19)13-22-25-20(15-29-22)14-26-11-9-18(10-12-26)23(28)17-3-7-21(27)8-4-17/h1-8,15,18,27H,9-14H2
InChIKeyIJPREJBUMVEZNE-UHFFFAOYSA-N
XLogP5.19
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.97
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone with MolForge

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Related Compounds

1-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl]pyrrolidine-3-carboxylic acid
CID 119904916
1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid
CID 119906545
phenyl-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
CID 16605883
2-(2-benzyl-1,3-thiazol-4-yl)-1-[4-(3,4-dichlorobenzoyl)piperidin-1-yl]ethanone
CID 55955491
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-1-[4-(4-methylbenzoyl)piperidin-1-yl]ethanone
CID 55978922
(4-chlorophenyl)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanone
CID 60561002
[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-(4-chlorophenyl)methanone
CID 120899134
(4-hydroxyphenyl)-[1-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-4-yl]methanone
CID 86827290
N-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl]oxirane-2-carboxamide
CID 154879924
(4-chlorophenyl)-[1-(2-methylpropyl)piperidin-4-yl]methanone
CID 57128692
N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-4-hydroxybenzamide
CID 58933474
2-[[4-(4-hydroxybenzoyl)piperidin-1-yl]methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 24649117

Frequently Asked Questions

What is the IUPAC name of [1-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone?
The IUPAC name of [1-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone (CID 86983823) is [1-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone.
What is the SMILES notation for [1-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone?
The canonical SMILES for [1-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone is O=C(c1ccc(O)cc1)C1CCN(Cc2csc(Cc3ccc(Cl)cc3)n2)CC1.
What is the InChIKey of [1-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone?
The InChIKey is IJPREJBUMVEZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O2S/c24-19-5-1-16(2-6-19)13-22-25-20(15-29-22)14-26-11-9-18(10-12-26)23(28)17-3-7-21(27)8-4-17/h1-8,15,18,27H,9-14H2.
What are the key properties of [1-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone?
[1-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone has a molecular weight of 426.97 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 86983823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).