5-(4-methoxyphenyl)-4-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)-1,2-thiazole 1,1-dioxide

C21H29N3O3S — CID 22512229

IUPAC5-(4-methoxyphenyl)-4-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)-1,2-thiazole 1,1-dioxide
SMILESCOc1ccc(C2=C(C)C(N3CCC(N4CCCCC4)CC3)=NS2(=O)=O)cc1
InChIInChI=1S/C21H29N3O3S/c1-16-20(17-6-8-19(27-2)9-7-17)28(25,26)22-21(16)24-14-10-18(11-15-24)23-12-4-3-5-13-23/h6-9,18H,3-5,10-15H2,1-2H3
InChIKeyIMQRYHOMWBBHLA-UHFFFAOYSA-N
MW403.55 g/mol
LogP3.12
Rot. Bonds3

About 5-(4-methoxyphenyl)-4-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)-1,2-thiazole 1,1-dioxide

5-(4-methoxyphenyl)-4-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)-1,2-thiazole 1,1-dioxide (PubChem CID 22512229) has the molecular formula C21H29N3O3S and a molecular weight of 403.55 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-4-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)-1,2-thiazole 1,1-dioxide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-4-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)-1,2-thiazole 1,1-dioxide
PubChem CID22512229
Molecular FormulaC21H29N3O3S
Molecular Weight403.55 g/mol
Exact Mass403.19
IUPAC Name5-(4-methoxyphenyl)-4-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)-1,2-thiazole 1,1-dioxide
SMILESCOc1ccc(C2=C(C)C(N3CCC(N4CCCCC4)CC3)=NS2(=O)=O)cc1
InChIInChI=1S/C21H29N3O3S/c1-16-20(17-6-8-19(27-2)9-7-17)28(25,26)22-21(16)24-14-10-18(11-15-24)23-12-4-3-5-13-23/h6-9,18H,3-5,10-15H2,1-2H3
InChIKeyIMQRYHOMWBBHLA-UHFFFAOYSA-N
XLogP3.12
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(4-methoxyphenyl)-4-methyl-3-(4-piperidin-1-ylpiperidin-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-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 46338229
1-[1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 46338220
1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 46338211
1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 46338206
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
5-(4-methoxyphenyl)-4-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide
CID 22512230
5-(4-fluorophenyl)-4-methyl-3-piperidin-1-yl-1,2-thiazole 1,1-dioxide
CID 20934698
1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 46338198
5-(4-chlorophenyl)-4-methyl-3-pyrrolidin-1-yl-1,2-thiazole 1,1-dioxide
CID 22512110
5-(4-methoxyphenyl)-4-methyl-3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1,2-thiazole 1,1-dioxide
CID 22512221

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-4-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)-1,2-thiazole 1,1-dioxide?
The IUPAC name of 5-(4-methoxyphenyl)-4-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)-1,2-thiazole 1,1-dioxide (CID 22512229) is 5-(4-methoxyphenyl)-4-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)-1,2-thiazole 1,1-dioxide.
What is the SMILES notation for 5-(4-methoxyphenyl)-4-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)-1,2-thiazole 1,1-dioxide?
The canonical SMILES for 5-(4-methoxyphenyl)-4-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)-1,2-thiazole 1,1-dioxide is COc1ccc(C2=C(C)C(N3CCC(N4CCCCC4)CC3)=NS2(=O)=O)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-4-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)-1,2-thiazole 1,1-dioxide?
The InChIKey is IMQRYHOMWBBHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3S/c1-16-20(17-6-8-19(27-2)9-7-17)28(25,26)22-21(16)24-14-10-18(11-15-24)23-12-4-3-5-13-23/h6-9,18H,3-5,10-15H2,1-2H3.
What are the key properties of 5-(4-methoxyphenyl)-4-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)-1,2-thiazole 1,1-dioxide?
5-(4-methoxyphenyl)-4-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)-1,2-thiazole 1,1-dioxide has a molecular weight of 403.55 g/mol, XLogP of 3.12, 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-(4-piperidin-1-ylpiperidin-1-yl)-1,2-thiazole 1,1-dioxide is sourced from PubChem (CID 22512229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).