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

C23H26N4O3S2 — CID 30942475

IUPAC1-[4-(3-methylphenyl)piperazin-1-yl]-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]ethanone
SMILESCc1cccc(N2CCN(C(=O)Cc3csc(Nc4ccc(S(C)(=O)=O)cc4)n3)CC2)c1
InChIInChI=1S/C23H26N4O3S2/c1-17-4-3-5-20(14-17)26-10-12-27(13-11-26)22(28)15-19-16-31-23(25-19)24-18-6-8-21(9-7-18)32(2,29)30/h3-9,14,16H,10-13,15H2,1-2H3,(H,24,25)
InChIKeyOBUZNTFJZWSMIL-UHFFFAOYSA-N
MW470.62 g/mol
LogP3.49
Rot. Bonds6

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

1-[4-(3-methylphenyl)piperazin-1-yl]-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]ethanone (PubChem CID 30942475) has the molecular formula C23H26N4O3S2 and a molecular weight of 470.62 g/mol. Its IUPAC name is 1-[4-(3-methylphenyl)piperazin-1-yl]-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-methylphenyl)piperazin-1-yl]-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]ethanone
PubChem CID30942475
Molecular FormulaC23H26N4O3S2
Molecular Weight470.62 g/mol
Exact Mass470.14
IUPAC Name1-[4-(3-methylphenyl)piperazin-1-yl]-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]ethanone
SMILESCc1cccc(N2CCN(C(=O)Cc3csc(Nc4ccc(S(C)(=O)=O)cc4)n3)CC2)c1
InChIInChI=1S/C23H26N4O3S2/c1-17-4-3-5-20(14-17)26-10-12-27(13-11-26)22(28)15-19-16-31-23(25-19)24-18-6-8-21(9-7-18)32(2,29)30/h3-9,14,16H,10-13,15H2,1-2H3,(H,24,25)
InChIKeyOBUZNTFJZWSMIL-UHFFFAOYSA-N
XLogP3.49
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.62
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]ethanone
CID 30941122
1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 27041100
2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 110451007
2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 30941964
2-(2-anilino-1,3-thiazol-4-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 27377709
1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone
CID 27049046
1-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 27048907
N-(3-acetamidophenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
CID 27378040
1-[4-(3-methylphenyl)piperazin-1-yl]-2-(1,3-thiazol-4-yl)ethanone
CID 110854166
N-(3-chlorophenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
CID 30942363
1-(3-methylphenyl)-4-(4-methylsulfonylphenyl)piperazine
CID 171998032
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]ethanone
CID 30940520

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylphenyl)piperazin-1-yl]-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[4-(3-methylphenyl)piperazin-1-yl]-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]ethanone (CID 30942475) is 1-[4-(3-methylphenyl)piperazin-1-yl]-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[4-(3-methylphenyl)piperazin-1-yl]-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[4-(3-methylphenyl)piperazin-1-yl]-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]ethanone is Cc1cccc(N2CCN(C(=O)Cc3csc(Nc4ccc(S(C)(=O)=O)cc4)n3)CC2)c1.
What is the InChIKey of 1-[4-(3-methylphenyl)piperazin-1-yl]-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]ethanone?
The InChIKey is OBUZNTFJZWSMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S2/c1-17-4-3-5-20(14-17)26-10-12-27(13-11-26)22(28)15-19-16-31-23(25-19)24-18-6-8-21(9-7-18)32(2,29)30/h3-9,14,16H,10-13,15H2,1-2H3,(H,24,25).
What are the key properties of 1-[4-(3-methylphenyl)piperazin-1-yl]-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]ethanone?
1-[4-(3-methylphenyl)piperazin-1-yl]-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]ethanone has a molecular weight of 470.62 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylphenyl)piperazin-1-yl]-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 30942475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).