[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-(4-phenylpiperidin-1-yl)methanone

C22H23N3O2S — CID 71818429

IUPAC[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-(4-phenylpiperidin-1-yl)methanone
SMILESCOc1ccc(Nc2nc(C(=O)N3CCC(c4ccccc4)CC3)cs2)cc1
InChIInChI=1S/C22H23N3O2S/c1-27-19-9-7-18(8-10-19)23-22-24-20(15-28-22)21(26)25-13-11-17(12-14-25)16-5-3-2-4-6-16/h2-10,15,17H,11-14H2,1H3,(H,23,24)
InChIKeyZKXRYBQRAAUEOI-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.92
Rot. Bonds5

About [2-(4-methoxyanilino)-1,3-thiazol-4-yl]-(4-phenylpiperidin-1-yl)methanone

[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-(4-phenylpiperidin-1-yl)methanone (PubChem CID 71818429) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-1,3-thiazol-4-yl]-(4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-(4-phenylpiperidin-1-yl)methanone
PubChem CID71818429
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-(4-phenylpiperidin-1-yl)methanone
SMILESCOc1ccc(Nc2nc(C(=O)N3CCC(c4ccccc4)CC3)cs2)cc1
InChIInChI=1S/C22H23N3O2S/c1-27-19-9-7-18(8-10-19)23-22-24-20(15-28-22)21(26)25-13-11-17(12-14-25)16-5-3-2-4-6-16/h2-10,15,17H,11-14H2,1H3,(H,23,24)
InChIKeyZKXRYBQRAAUEOI-UHFFFAOYSA-N
XLogP4.92
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Gsk417651A
CID 1096735
[2-(4-Methoxyanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 4519833
[2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 56944680
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 59332297
[2-(1,3-Benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 71818281
[2-(1,3-Benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-(2,3-dimethylpiperidin-1-yl)methanone
CID 71818432
[2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 71818577
4-[4-(3-Methoxy-phenyl)-thiazol-2-yl]-piperazine-1-carboxylic acid (2-methoxy-phenyl)-amide
CID 651034
N-benzyl-N-(2-hydroxyethyl)-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide
CID 1096805
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methanone
CID 1096807
N-(4-methoxybenzyl)-1-({2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl}carbonyl)piperidine-4-carboxamide
CID 1096818
N-(2,4-dimethoxyphenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide
CID 1438356

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-1,3-thiazol-4-yl]-(4-phenylpiperidin-1-yl)methanone?
The IUPAC name of [2-(4-methoxyanilino)-1,3-thiazol-4-yl]-(4-phenylpiperidin-1-yl)methanone (CID 71818429) is [2-(4-methoxyanilino)-1,3-thiazol-4-yl]-(4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(4-methoxyanilino)-1,3-thiazol-4-yl]-(4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(4-methoxyanilino)-1,3-thiazol-4-yl]-(4-phenylpiperidin-1-yl)methanone is COc1ccc(Nc2nc(C(=O)N3CCC(c4ccccc4)CC3)cs2)cc1.
What is the InChIKey of [2-(4-methoxyanilino)-1,3-thiazol-4-yl]-(4-phenylpiperidin-1-yl)methanone?
The InChIKey is ZKXRYBQRAAUEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-27-19-9-7-18(8-10-19)23-22-24-20(15-28-22)21(26)25-13-11-17(12-14-25)16-5-3-2-4-6-16/h2-10,15,17H,11-14H2,1H3,(H,23,24).
What are the key properties of [2-(4-methoxyanilino)-1,3-thiazol-4-yl]-(4-phenylpiperidin-1-yl)methanone?
[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-(4-phenylpiperidin-1-yl)methanone has a molecular weight of 393.51 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)-1,3-thiazol-4-yl]-(4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 71818429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).