2-(2-benzyl-1,3-thiazol-4-yl)-1-[4-(3,4-dichlorobenzoyl)piperidin-1-yl]ethanone

C24H22Cl2N2O2S — CID 55955491

IUPAC2-(2-benzyl-1,3-thiazol-4-yl)-1-[4-(3,4-dichlorobenzoyl)piperidin-1-yl]ethanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)C1CCN(C(=O)Cc2csc(Cc3ccccc3)n2)CC1
InChIInChI=1S/C24H22Cl2N2O2S/c25-20-7-6-18(13-21(20)26)24(30)17-8-10-28(11-9-17)23(29)14-19-15-31-22(27-19)12-16-4-2-1-3-5-16/h1-7,13,15,17H,8-12,14H2
InChIKeyRSWVYZOBAAFEED-UHFFFAOYSA-N
MW473.43 g/mol
LogP5.70
Rot. Bonds6

About 2-(2-benzyl-1,3-thiazol-4-yl)-1-[4-(3,4-dichlorobenzoyl)piperidin-1-yl]ethanone

2-(2-benzyl-1,3-thiazol-4-yl)-1-[4-(3,4-dichlorobenzoyl)piperidin-1-yl]ethanone (PubChem CID 55955491) has the molecular formula C24H22Cl2N2O2S and a molecular weight of 473.43 g/mol. Its IUPAC name is 2-(2-benzyl-1,3-thiazol-4-yl)-1-[4-(3,4-dichlorobenzoyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-benzyl-1,3-thiazol-4-yl)-1-[4-(3,4-dichlorobenzoyl)piperidin-1-yl]ethanone
PubChem CID55955491
Molecular FormulaC24H22Cl2N2O2S
Molecular Weight473.43 g/mol
Exact Mass472.08
IUPAC Name2-(2-benzyl-1,3-thiazol-4-yl)-1-[4-(3,4-dichlorobenzoyl)piperidin-1-yl]ethanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)C1CCN(C(=O)Cc2csc(Cc3ccccc3)n2)CC1
InChIInChI=1S/C24H22Cl2N2O2S/c25-20-7-6-18(13-21(20)26)24(30)17-8-10-28(11-9-17)23(29)14-19-15-31-22(27-19)12-16-4-2-1-3-5-16/h1-7,13,15,17H,8-12,14H2
InChIKeyRSWVYZOBAAFEED-UHFFFAOYSA-N
XLogP5.70
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.43
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-benzyl-1,3-thiazol-4-yl)-1-[4-(3,4-dichlorobenzoyl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

(4-Chlorophenyl){1-[(2-methyl-1,3-thiazol-4-yl)carbonyl]piperidin-3-yl}methanone
CID 16189108
N-allyl-4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]benzenecarboxamide
CID 4270301
3-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-7-phenyl-7,8-dihydro-2,5(1H,6H)-quinolinedione
CID 15988485
1-(3-chlorobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 20974802
1-(3-chloro-4-fluorobenzoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 20974849
1-(4-chlorobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 20974800
N-[2-[2-[1-(4-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide
CID 53149559
N-(2-{2-[1-(4-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl}ethyl)-2-methylpropanamide
CID 71841765
N-(2-{2-[1-(3-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl}ethyl)propanamide
CID 71841798
N-(2-{2-[1-(4-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl}ethyl)propanamide
CID 71841813
N-(2-{2-[1-(3-chlorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl}ethyl)-2-methylpropanamide
CID 71841931
N-(2-{2-[1-(4-chlorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl}ethyl)-2-methylpropanamide
CID 71841935

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-1,3-thiazol-4-yl)-1-[4-(3,4-dichlorobenzoyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-benzyl-1,3-thiazol-4-yl)-1-[4-(3,4-dichlorobenzoyl)piperidin-1-yl]ethanone (CID 55955491) is 2-(2-benzyl-1,3-thiazol-4-yl)-1-[4-(3,4-dichlorobenzoyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-benzyl-1,3-thiazol-4-yl)-1-[4-(3,4-dichlorobenzoyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-benzyl-1,3-thiazol-4-yl)-1-[4-(3,4-dichlorobenzoyl)piperidin-1-yl]ethanone is O=C(c1ccc(Cl)c(Cl)c1)C1CCN(C(=O)Cc2csc(Cc3ccccc3)n2)CC1.
What is the InChIKey of 2-(2-benzyl-1,3-thiazol-4-yl)-1-[4-(3,4-dichlorobenzoyl)piperidin-1-yl]ethanone?
The InChIKey is RSWVYZOBAAFEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N2O2S/c25-20-7-6-18(13-21(20)26)24(30)17-8-10-28(11-9-17)23(29)14-19-15-31-22(27-19)12-16-4-2-1-3-5-16/h1-7,13,15,17H,8-12,14H2.
What are the key properties of 2-(2-benzyl-1,3-thiazol-4-yl)-1-[4-(3,4-dichlorobenzoyl)piperidin-1-yl]ethanone?
2-(2-benzyl-1,3-thiazol-4-yl)-1-[4-(3,4-dichlorobenzoyl)piperidin-1-yl]ethanone has a molecular weight of 473.43 g/mol, XLogP of 5.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-1,3-thiazol-4-yl)-1-[4-(3,4-dichlorobenzoyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 55955491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).