2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone;hydrobromide

C17H24BrN3OS — CID 173113589

IUPAC2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone;hydrobromide
SMILESBr.CC1=C(C)N(CC(=O)N2CCN(c3ccccc3)CC2)CS1
InChIInChI=1S/C17H23N3OS.BrH/c1-14-15(2)22-13-20(14)12-17(21)19-10-8-18(9-11-19)16-6-4-3-5-7-16;/h3-7H,8-13H2,1-2H3;1H
InChIKeyDLYNHIMLPPDNGW-UHFFFAOYSA-N
MW398.37 g/mol
LogP3.17
Rot. Bonds3

About 2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone;hydrobromide

2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone;hydrobromide (PubChem CID 173113589) has the molecular formula C17H24BrN3OS and a molecular weight of 398.37 g/mol. Its IUPAC name is 2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone;hydrobromide.

Molecular Properties

Compound Name2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone;hydrobromide
PubChem CID173113589
Molecular FormulaC17H24BrN3OS
Molecular Weight398.37 g/mol
Exact Mass397.08
IUPAC Name2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone;hydrobromide
SMILESBr.CC1=C(C)N(CC(=O)N2CCN(c3ccccc3)CC2)CS1
InChIInChI=1S/C17H23N3OS.BrH/c1-14-15(2)22-13-20(14)12-17(21)19-10-8-18(9-11-19)16-6-4-3-5-7-16;/h3-7H,8-13H2,1-2H3;1H
InChIKeyDLYNHIMLPPDNGW-UHFFFAOYSA-N
XLogP3.17
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.37
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone;hydrobromide with MolForge

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Related Compounds

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2-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 9329012
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CID 719503
2-(2,3-dimethylimidazol-3-ium-1-yl)-1-(4-phenylpiperazin-1-yl)ethanone chloride
CID 87584525
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CID 110873765
ethyl 4-oxo-4-(4-phenylpiperazin-1-yl)butanoate
CID 60636216
N-methyl-3-oxo-N-phenyl-3-(4-phenylpiperazin-1-yl)propanamide
CID 108949403
2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 90507503
1-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione
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2-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-1-yl]acetonitrile;dihydrochloride
CID 2916737

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone;hydrobromide?
The IUPAC name of 2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone;hydrobromide (CID 173113589) is 2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone;hydrobromide.
What is the SMILES notation for 2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone;hydrobromide?
The canonical SMILES for 2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone;hydrobromide is Br.CC1=C(C)N(CC(=O)N2CCN(c3ccccc3)CC2)CS1.
What is the InChIKey of 2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone;hydrobromide?
The InChIKey is DLYNHIMLPPDNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS.BrH/c1-14-15(2)22-13-20(14)12-17(21)19-10-8-18(9-11-19)16-6-4-3-5-7-16;/h3-7H,8-13H2,1-2H3;1H.
What are the key properties of 2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone;hydrobromide?
2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone;hydrobromide has a molecular weight of 398.37 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone;hydrobromide is sourced from PubChem (CID 173113589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).