5-(4-methoxyphenyl)-4-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide

C20H22N4O3S — CID 22512230

IUPAC5-(4-methoxyphenyl)-4-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide
SMILESCOc1ccc(C2=C(C)C(N3CCN(c4ccccn4)CC3)=NS2(=O)=O)cc1
InChIInChI=1S/C20H22N4O3S/c1-15-19(16-6-8-17(27-2)9-7-16)28(25,26)22-20(15)24-13-11-23(12-14-24)18-5-3-4-10-21-18/h3-10H,11-14H2,1-2H3
InChIKeyAXALNMWWICUXJO-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.39
Rot. Bonds3

About 5-(4-methoxyphenyl)-4-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide

5-(4-methoxyphenyl)-4-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide (PubChem CID 22512230) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-4-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-4-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide
PubChem CID22512230
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name5-(4-methoxyphenyl)-4-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide
SMILESCOc1ccc(C2=C(C)C(N3CCN(c4ccccn4)CC3)=NS2(=O)=O)cc1
InChIInChI=1S/C20H22N4O3S/c1-15-19(16-6-8-17(27-2)9-7-16)28(25,26)22-20(15)24-13-11-23(12-14-24)18-5-3-4-10-21-18/h3-10H,11-14H2,1-2H3
InChIKeyAXALNMWWICUXJO-UHFFFAOYSA-N
XLogP2.39
TPSA75.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(4-methoxyphenyl)-4-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide with MolForge

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Related Compounds

3-(4-cyclohexylpiperazin-1-yl)-5-(4-methoxyphenyl)-4-methyl-1,2-thiazole 1,1-dioxide
CID 22512216
1-ethyl-3-(4-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110556321
5-(4-methoxyphenyl)-4-methyl-3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1,2-thiazole 1,1-dioxide
CID 22512221
1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 92749350
N-benzyl-1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-methylpiperidine-4-carboxamide
CID 46338219
3-(4-methoxyphenyl)-1-propyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110556282
3-(4-methoxyphenyl)-1-(3-methylphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110557677
1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 46338198
1-hexyl-3-(4-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110556763
2-(4-methoxyphenyl)-3,5-dimethyl-7-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 46299322
N-[1-[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]pyridine-2-carboxamide
CID 53171324
3-(4-methoxyphenyl)-5-[6-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
CID 53126709

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-4-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide?
The IUPAC name of 5-(4-methoxyphenyl)-4-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide (CID 22512230) is 5-(4-methoxyphenyl)-4-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide.
What is the SMILES notation for 5-(4-methoxyphenyl)-4-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide?
The canonical SMILES for 5-(4-methoxyphenyl)-4-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide is COc1ccc(C2=C(C)C(N3CCN(c4ccccn4)CC3)=NS2(=O)=O)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-4-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide?
The InChIKey is AXALNMWWICUXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-15-19(16-6-8-17(27-2)9-7-16)28(25,26)22-20(15)24-13-11-23(12-14-24)18-5-3-4-10-21-18/h3-10H,11-14H2,1-2H3.
What are the key properties of 5-(4-methoxyphenyl)-4-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide?
5-(4-methoxyphenyl)-4-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide has a molecular weight of 398.49 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-4-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide is sourced from PubChem (CID 22512230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).