tert-butyl 4-[2-[6-(2-fluoro-4-methylsulfonylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidine-1-carboxylate

C23H29FN4O5S2 — CID 131988162

IUPACtert-butyl 4-[2-[6-(2-fluoro-4-methylsulfonylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCOc2nn3cc(-c4ccc(S(C)(=O)=O)cc4F)nc3s2)CC1
InChIInChI=1S/C23H29FN4O5S2/c1-23(2,3)33-22(29)27-10-7-15(8-11-27)9-12-32-21-26-28-14-19(25-20(28)34-21)17-6-5-16(13-18(17)24)35(4,30)31/h5-6,13-15H,7-12H2,1-4H3
InChIKeyJNMIHZHRHHDVHX-UHFFFAOYSA-N
MW524.64 g/mol
LogP4.42
Rot. Bonds6

About tert-butyl 4-[2-[6-(2-fluoro-4-methylsulfonylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidine-1-carboxylate

tert-butyl 4-[2-[6-(2-fluoro-4-methylsulfonylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidine-1-carboxylate (PubChem CID 131988162) has the molecular formula C23H29FN4O5S2 and a molecular weight of 524.64 g/mol. Its IUPAC name is tert-butyl 4-[2-[6-(2-fluoro-4-methylsulfonylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[6-(2-fluoro-4-methylsulfonylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidine-1-carboxylate
PubChem CID131988162
Molecular FormulaC23H29FN4O5S2
Molecular Weight524.64 g/mol
Exact Mass524.16
IUPAC Nametert-butyl 4-[2-[6-(2-fluoro-4-methylsulfonylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCOc2nn3cc(-c4ccc(S(C)(=O)=O)cc4F)nc3s2)CC1
InChIInChI=1S/C23H29FN4O5S2/c1-23(2,3)33-22(29)27-10-7-15(8-11-27)9-12-32-21-26-28-14-19(25-20(28)34-21)17-6-5-16(13-18(17)24)35(4,30)31/h5-6,13-15H,7-12H2,1-4H3
InChIKeyJNMIHZHRHHDVHX-UHFFFAOYSA-N
XLogP4.42
TPSA103.10 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.64
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze tert-butyl 4-[2-[6-(2-fluoro-4-methylsulfonylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]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

tert-butyl 4-[2-[(2-fluoro-4-methylsulfonylphenyl)carbamoyloxy]ethyl]piperidine-1-carboxylate
CID 53261979
tert-butyl 4-[[3-fluoro-4-(4-methylsulfonylphenyl)phenoxy]methyl]piperidine-1-carboxylate
CID 24994032
2-ethyl-4-[1-[6-(2-fluoro-4-methylsulfonylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidine-1-carboxylic acid
CID 137489432
6-(2-fluoro-4-methylsulfonylphenyl)-2-[(1S)-1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]ethoxy]imidazo[2,1-b][1,3,4]thiadiazole
CID 131984585
tert-butyl 4-[[[6-(2-fluoro-N-methyl-4-methylsulfonylanilino)pyrimidin-4-yl]-methylamino]methyl]piperidine-1-carboxylate
CID 11584285
tert-butyl 4-[[2-fluoro-4-(4-methylsulfonylphenyl)phenoxy]methyl]piperidine-1-carboxylate
CID 24993711
tert-butyl 4-[2-[(2-fluoro-4-methylsulfonylbenzoyl)amino]-1,3-thiazol-5-yl]piperidine-1-carboxylate
CID 44599780
tert-butyl 4-[2-(4-fluorophenyl)sulfonylethyl]piperidine-1-carboxylate
CID 18374764
tert-butyl 4-[[7-(2-fluoro-4-methylsulfonylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 71471712
tert-butyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate
CID 58808104
tert-butyl 3-[[2-fluoro-4-(2-fluoro-4-methylsulfonylphenyl)phenoxy]methyl]azetidine-1-carboxylate
CID 142712725
tert-butyl 4-[[6-(2-fluoro-4-methylsulfonylanilino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 11698394

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[6-(2-fluoro-4-methylsulfonylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[6-(2-fluoro-4-methylsulfonylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidine-1-carboxylate (CID 131988162) is tert-butyl 4-[2-[6-(2-fluoro-4-methylsulfonylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[6-(2-fluoro-4-methylsulfonylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[6-(2-fluoro-4-methylsulfonylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CCOc2nn3cc(-c4ccc(S(C)(=O)=O)cc4F)nc3s2)CC1.
What is the InChIKey of tert-butyl 4-[2-[6-(2-fluoro-4-methylsulfonylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidine-1-carboxylate?
The InChIKey is JNMIHZHRHHDVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O5S2/c1-23(2,3)33-22(29)27-10-7-15(8-11-27)9-12-32-21-26-28-14-19(25-20(28)34-21)17-6-5-16(13-18(17)24)35(4,30)31/h5-6,13-15H,7-12H2,1-4H3.
What are the key properties of tert-butyl 4-[2-[6-(2-fluoro-4-methylsulfonylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidine-1-carboxylate?
tert-butyl 4-[2-[6-(2-fluoro-4-methylsulfonylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidine-1-carboxylate has a molecular weight of 524.64 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[6-(2-fluoro-4-methylsulfonylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidine-1-carboxylate is sourced from PubChem (CID 131988162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).