1-(4-methylphenyl)-3-[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]propan-2-one

C24H26N2O3S2 — CID 157283485

IUPAC1-(4-methylphenyl)-3-[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]propan-2-one
SMILESCc1ccc(CC(=O)Cc2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cs2)cc1
InChIInChI=1S/C24H26N2O3S2/c1-18-5-7-19(8-6-18)15-21(27)16-24-25-23(17-30-24)20-9-11-22(12-10-20)31(28,29)26-13-3-2-4-14-26/h5-12,17H,2-4,13-16H2,1H3
InChIKeyZBBWTLYFHRMXIC-UHFFFAOYSA-N
MW454.62 g/mol
LogP4.65
Rot. Bonds7

About 1-(4-methylphenyl)-3-[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]propan-2-one

1-(4-methylphenyl)-3-[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]propan-2-one (PubChem CID 157283485) has the molecular formula C24H26N2O3S2 and a molecular weight of 454.62 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]propan-2-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]propan-2-one
PubChem CID157283485
Molecular FormulaC24H26N2O3S2
Molecular Weight454.62 g/mol
Exact Mass454.14
IUPAC Name1-(4-methylphenyl)-3-[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]propan-2-one
SMILESCc1ccc(CC(=O)Cc2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cs2)cc1
InChIInChI=1S/C24H26N2O3S2/c1-18-5-7-19(8-6-18)15-21(27)16-24-25-23(17-30-24)20-9-11-22(12-10-20)31(28,29)26-13-3-2-4-14-26/h5-12,17H,2-4,13-16H2,1H3
InChIKeyZBBWTLYFHRMXIC-UHFFFAOYSA-N
XLogP4.65
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.62
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylphenoxy)-3-[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]propan-2-one
CID 159448954
3-ethyl-1-[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]pentan-2-one
CID 157094162
4-methyl-2-[[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole
CID 9422820
1-[4-[[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone
CID 60603912
2-methyl-4-[[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole
CID 55630104
1-[[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-2,5-dione
CID 55921685
3-(2-methoxyphenoxy)-1-[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]butan-2-one
CID 158149950
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylphenyl)acetamide
CID 1291427
N-(4-methyl-1,3-thiazol-2-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 7959042
1-[4-(4-methylphenyl)phenyl]sulfonylazepane
CID 852205
1-[2-[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]ethyl]pyrrolidin-2-one
CID 52587338
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]propan-2-one?
The IUPAC name of 1-(4-methylphenyl)-3-[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]propan-2-one (CID 157283485) is 1-(4-methylphenyl)-3-[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]propan-2-one.
What is the SMILES notation for 1-(4-methylphenyl)-3-[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]propan-2-one?
The canonical SMILES for 1-(4-methylphenyl)-3-[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]propan-2-one is Cc1ccc(CC(=O)Cc2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cs2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]propan-2-one?
The InChIKey is ZBBWTLYFHRMXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S2/c1-18-5-7-19(8-6-18)15-21(27)16-24-25-23(17-30-24)20-9-11-22(12-10-20)31(28,29)26-13-3-2-4-14-26/h5-12,17H,2-4,13-16H2,1H3.
What are the key properties of 1-(4-methylphenyl)-3-[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]propan-2-one?
1-(4-methylphenyl)-3-[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]propan-2-one has a molecular weight of 454.62 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]propan-2-one is sourced from PubChem (CID 157283485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).