propyl 4-[[6-(4-methylsulfonylphenyl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate

C23H26N2O5S2 — CID 71275507

IUPACpropyl 4-[[6-(4-methylsulfonylphenyl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate
SMILESCCCOC(=O)N1CCC(Oc2nc3ccc(-c4ccc(S(C)(=O)=O)cc4)cc3s2)CC1
InChIInChI=1S/C23H26N2O5S2/c1-3-14-29-23(26)25-12-10-18(11-13-25)30-22-24-20-9-6-17(15-21(20)31-22)16-4-7-19(8-5-16)32(2,27)28/h4-9,15,18H,3,10-14H2,1-2H3
InChIKeyQDLZHNFVSFWVAS-UHFFFAOYSA-N
MW474.60 g/mol
LogP4.76
Rot. Bonds6

About propyl 4-[[6-(4-methylsulfonylphenyl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate

propyl 4-[[6-(4-methylsulfonylphenyl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate (PubChem CID 71275507) has the molecular formula C23H26N2O5S2 and a molecular weight of 474.60 g/mol. Its IUPAC name is propyl 4-[[6-(4-methylsulfonylphenyl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropyl 4-[[6-(4-methylsulfonylphenyl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate
PubChem CID71275507
Molecular FormulaC23H26N2O5S2
Molecular Weight474.60 g/mol
Exact Mass474.13
IUPAC Namepropyl 4-[[6-(4-methylsulfonylphenyl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate
SMILESCCCOC(=O)N1CCC(Oc2nc3ccc(-c4ccc(S(C)(=O)=O)cc4)cc3s2)CC1
InChIInChI=1S/C23H26N2O5S2/c1-3-14-29-23(26)25-12-10-18(11-13-25)30-22-24-20-9-6-17(15-21(20)31-22)16-4-7-19(8-5-16)32(2,27)28/h4-9,15,18H,3,10-14H2,1-2H3
InChIKeyQDLZHNFVSFWVAS-UHFFFAOYSA-N
XLogP4.76
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.60
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze propyl 4-[[6-(4-methylsulfonylphenyl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(4-methylsulfonylphenyl)-1,3-benzothiazole
CID 54596967
6-(4-methylsulfonylphenyl)-2-[(3R)-1-(5-propylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-1,3-benzothiazole
CID 71275500
benzyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate
CID 71275317
propan-2-yl 4-[3-(4-methylsulfonylphenyl)phenoxy]piperidine-1-carboxylate
CID 143981454
cyclobutylmethyl 4-[[6-[4-(3-hydroxy-3-methylbutyl)sulfonylpiperazin-1-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate
CID 71275423
propan-2-yl 4-[1-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidine-1-carboxylate
CID 131985275
2-piperidin-4-yloxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole
CID 67468519
3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol
CID 71270095
butyl 4-[6-(4-cyclopropylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 46701029
tert-butyl 4-[1-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidine-1-carboxylate
CID 131985319
6-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole
CID 54597119
6-(1-ethenylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole
CID 54596332

Frequently Asked Questions

What is the IUPAC name of propyl 4-[[6-(4-methylsulfonylphenyl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate?
The IUPAC name of propyl 4-[[6-(4-methylsulfonylphenyl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate (CID 71275507) is propyl 4-[[6-(4-methylsulfonylphenyl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate.
What is the SMILES notation for propyl 4-[[6-(4-methylsulfonylphenyl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate?
The canonical SMILES for propyl 4-[[6-(4-methylsulfonylphenyl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate is CCCOC(=O)N1CCC(Oc2nc3ccc(-c4ccc(S(C)(=O)=O)cc4)cc3s2)CC1.
What is the InChIKey of propyl 4-[[6-(4-methylsulfonylphenyl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate?
The InChIKey is QDLZHNFVSFWVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5S2/c1-3-14-29-23(26)25-12-10-18(11-13-25)30-22-24-20-9-6-17(15-21(20)31-22)16-4-7-19(8-5-16)32(2,27)28/h4-9,15,18H,3,10-14H2,1-2H3.
What are the key properties of propyl 4-[[6-(4-methylsulfonylphenyl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate?
propyl 4-[[6-(4-methylsulfonylphenyl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate has a molecular weight of 474.60 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[[6-(4-methylsulfonylphenyl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate is sourced from PubChem (CID 71275507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).