1-(2,3-dimethylpiperazin-1-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone

C18H23N3OS — CID 120572827

IUPAC1-(2,3-dimethylpiperazin-1-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone
SMILESCc1ccc(-c2nc(CC(=O)N3CCNC(C)C3C)cs2)cc1
InChIInChI=1S/C18H23N3OS/c1-12-4-6-15(7-5-12)18-20-16(11-23-18)10-17(22)21-9-8-19-13(2)14(21)3/h4-7,11,13-14,19H,8-10H2,1-3H3
InChIKeyFFKNQVZSSAYYIW-UHFFFAOYSA-N
MW329.47 g/mol
LogP2.87
Rot. Bonds3

About 1-(2,3-dimethylpiperazin-1-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone

1-(2,3-dimethylpiperazin-1-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone (PubChem CID 120572827) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 1-(2,3-dimethylpiperazin-1-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-(2,3-dimethylpiperazin-1-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone
PubChem CID120572827
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name1-(2,3-dimethylpiperazin-1-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone
SMILESCc1ccc(-c2nc(CC(=O)N3CCNC(C)C3C)cs2)cc1
InChIInChI=1S/C18H23N3OS/c1-12-4-6-15(7-5-12)18-20-16(11-23-18)10-17(22)21-9-8-19-13(2)14(21)3/h4-7,11,13-14,19H,8-10H2,1-3H3
InChIKeyFFKNQVZSSAYYIW-UHFFFAOYSA-N
XLogP2.87
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dimethylpiperazin-1-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone
CID 120570378
1-(2,3-dimethylpiperazin-1-yl)-2-(2-ethyl-1,3-thiazol-4-yl)ethanone;dihydrochloride
CID 120572802
2-(2-tert-butyl-1,3-thiazol-4-yl)-1-(2,3-dimethylpiperazin-1-yl)ethanone;dihydrochloride
CID 120569829
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone
CID 39305192
(2R)-1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119371423
1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxamide
CID 56922956
2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1-(3-methylpiperazin-1-yl)ethanone;dihydrochloride
CID 119580568
1-(2,3-dimethylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one
CID 120571813
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-(2-phenylpyrrolidin-1-yl)ethanone
CID 55495719
1-(2,3-dimethylpiperazin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
CID 120572612
[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone;dihydrochloride
CID 120570866
1-(2,3-dimethylpiperazin-1-yl)-2-(5-methylthiophen-2-yl)ethanone;hydrochloride
CID 120572529

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylpiperazin-1-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-(2,3-dimethylpiperazin-1-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone (CID 120572827) is 1-(2,3-dimethylpiperazin-1-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-(2,3-dimethylpiperazin-1-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-(2,3-dimethylpiperazin-1-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone is Cc1ccc(-c2nc(CC(=O)N3CCNC(C)C3C)cs2)cc1.
What is the InChIKey of 1-(2,3-dimethylpiperazin-1-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is FFKNQVZSSAYYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-12-4-6-15(7-5-12)18-20-16(11-23-18)10-17(22)21-9-8-19-13(2)14(21)3/h4-7,11,13-14,19H,8-10H2,1-3H3.
What are the key properties of 1-(2,3-dimethylpiperazin-1-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone?
1-(2,3-dimethylpiperazin-1-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 329.47 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylpiperazin-1-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 120572827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).