5-(4-methoxyphenyl)-4-methyl-3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1,2-thiazole 1,1-dioxide

C23H27N3O3S — CID 22512221

IUPAC5-(4-methoxyphenyl)-4-methyl-3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1,2-thiazole 1,1-dioxide
SMILESCOc1ccc(C2=C(C)C(N3CCN(c4cccc(C)c4)C(C)C3)=NS2(=O)=O)cc1
InChIInChI=1S/C23H27N3O3S/c1-16-6-5-7-20(14-16)26-13-12-25(15-17(26)2)23-18(3)22(30(27,28)24-23)19-8-10-21(29-4)11-9-19/h5-11,14,17H,12-13,15H2,1-4H3
InChIKeyNNCZWFVTNCNLSS-UHFFFAOYSA-N
MW425.55 g/mol
LogP3.69
Rot. Bonds3

About 5-(4-methoxyphenyl)-4-methyl-3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1,2-thiazole 1,1-dioxide

5-(4-methoxyphenyl)-4-methyl-3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1,2-thiazole 1,1-dioxide (PubChem CID 22512221) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-4-methyl-3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1,2-thiazole 1,1-dioxide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-4-methyl-3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1,2-thiazole 1,1-dioxide
PubChem CID22512221
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC Name5-(4-methoxyphenyl)-4-methyl-3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1,2-thiazole 1,1-dioxide
SMILESCOc1ccc(C2=C(C)C(N3CCN(c4cccc(C)c4)C(C)C3)=NS2(=O)=O)cc1
InChIInChI=1S/C23H27N3O3S/c1-16-6-5-7-20(14-16)26-13-12-25(15-17(26)2)23-18(3)22(30(27,28)24-23)19-8-10-21(29-4)11-9-19/h5-11,14,17H,12-13,15H2,1-4H3
InChIKeyNNCZWFVTNCNLSS-UHFFFAOYSA-N
XLogP3.69
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(4-methoxyphenyl)-4-methyl-3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1,2-thiazole 1,1-dioxide with MolForge

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Related Compounds

5-(4-methoxyphenyl)-4-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide
CID 22512230
1-(4-methoxyphenyl)-4-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 11896077
3-(2,5-dimethoxyphenyl)-5-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1,2,4-oxadiazole
CID 98472380
(3-methoxyphenyl)-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
CID 2465576
3-chloro-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridazine
CID 15124627
N-benzyl-1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-methylpiperidine-4-carboxamide
CID 46338219
2-(3-methoxyphenyl)-1-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 2481309
2-(3-methoxyphenyl)-1-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 2481312
6-(4-methoxyphenyl)-2-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1,4-dihydropyridazin-3-one
CID 4118469
1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 46338198
(3S)-1-[5-(4-methoxyphenyl)-1,1-dioxo-4-phenyl-1,2-thiazol-3-yl]piperidin-3-ol
CID 92595363
N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-3-methyl-4-(3-methylphenyl)piperazine-1-sulfonamide
CID 59641830

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-4-methyl-3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1,2-thiazole 1,1-dioxide?
The IUPAC name of 5-(4-methoxyphenyl)-4-methyl-3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1,2-thiazole 1,1-dioxide (CID 22512221) is 5-(4-methoxyphenyl)-4-methyl-3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1,2-thiazole 1,1-dioxide.
What is the SMILES notation for 5-(4-methoxyphenyl)-4-methyl-3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1,2-thiazole 1,1-dioxide?
The canonical SMILES for 5-(4-methoxyphenyl)-4-methyl-3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1,2-thiazole 1,1-dioxide is COc1ccc(C2=C(C)C(N3CCN(c4cccc(C)c4)C(C)C3)=NS2(=O)=O)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-4-methyl-3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1,2-thiazole 1,1-dioxide?
The InChIKey is NNCZWFVTNCNLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-16-6-5-7-20(14-16)26-13-12-25(15-17(26)2)23-18(3)22(30(27,28)24-23)19-8-10-21(29-4)11-9-19/h5-11,14,17H,12-13,15H2,1-4H3.
What are the key properties of 5-(4-methoxyphenyl)-4-methyl-3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1,2-thiazole 1,1-dioxide?
5-(4-methoxyphenyl)-4-methyl-3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1,2-thiazole 1,1-dioxide has a molecular weight of 425.55 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-4-methyl-3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1,2-thiazole 1,1-dioxide is sourced from PubChem (CID 22512221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).