tert-butyl 4-(2-quinolin-4-yl-1,3-thiazol-4-yl)piperidine-1-carboxylate

C22H25N3O2S — CID 167762752

IUPACtert-butyl 4-(2-quinolin-4-yl-1,3-thiazol-4-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2csc(-c3ccnc4ccccc34)n2)CC1
InChIInChI=1S/C22H25N3O2S/c1-22(2,3)27-21(26)25-12-9-15(10-13-25)19-14-28-20(24-19)17-8-11-23-18-7-5-4-6-16(17)18/h4-8,11,14-15H,9-10,12-13H2,1-3H3
InChIKeyMUQPVIGSTVKTDO-UHFFFAOYSA-N
MW395.53 g/mol
LogP5.47
Rot. Bonds2

About tert-butyl 4-(2-quinolin-4-yl-1,3-thiazol-4-yl)piperidine-1-carboxylate

tert-butyl 4-(2-quinolin-4-yl-1,3-thiazol-4-yl)piperidine-1-carboxylate (PubChem CID 167762752) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is tert-butyl 4-(2-quinolin-4-yl-1,3-thiazol-4-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-quinolin-4-yl-1,3-thiazol-4-yl)piperidine-1-carboxylate
PubChem CID167762752
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC Nametert-butyl 4-(2-quinolin-4-yl-1,3-thiazol-4-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2csc(-c3ccnc4ccccc34)n2)CC1
InChIInChI=1S/C22H25N3O2S/c1-22(2,3)27-21(26)25-12-9-15(10-13-25)19-14-28-20(24-19)17-8-11-23-18-7-5-4-6-16(17)18/h4-8,11,14-15H,9-10,12-13H2,1-3H3
InChIKeyMUQPVIGSTVKTDO-UHFFFAOYSA-N
XLogP5.47
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.53
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
tert-butyl 4-quinolin-4-ylsulfanylpiperidine-1-carboxylate
CID 141375199
tert-butyl 4-methyl-5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 167905968
tert-butyl 4-[2-(5-chloro-2-methyltriazol-4-yl)-1,3-thiazol-4-yl]piperidine-1-carboxylate
CID 167815193
tert-butyl 4-(2-chloropyrimidin-4-yl)piperidine-1-carboxylate
CID 46839930
tert-butyl 4-(6-chloro-2-pyridinyl)piperidine-1-carboxylate
CID 134611090
tert-butyl 4-[2-(methylamino)pyrimidin-4-yl]piperidine-1-carboxylate
CID 162748495
tert-butyl 4-quinolin-5-yloxypiperidine-1-carboxylate
CID 170614892
tert-butyl 4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 68778443
tert-butyl 4-quinolin-3-ylpiperidine-1-carboxylate
CID 102136032
tert-butyl (3R)-3-(quinolin-4-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 164884595
tert-butyl 4-(6-ethoxy-2-pyridinyl)piperidine-1-carboxylate
CID 170079671

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-quinolin-4-yl-1,3-thiazol-4-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-quinolin-4-yl-1,3-thiazol-4-yl)piperidine-1-carboxylate (CID 167762752) is tert-butyl 4-(2-quinolin-4-yl-1,3-thiazol-4-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-quinolin-4-yl-1,3-thiazol-4-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-quinolin-4-yl-1,3-thiazol-4-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2csc(-c3ccnc4ccccc34)n2)CC1.
What is the InChIKey of tert-butyl 4-(2-quinolin-4-yl-1,3-thiazol-4-yl)piperidine-1-carboxylate?
The InChIKey is MUQPVIGSTVKTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-22(2,3)27-21(26)25-12-9-15(10-13-25)19-14-28-20(24-19)17-8-11-23-18-7-5-4-6-16(17)18/h4-8,11,14-15H,9-10,12-13H2,1-3H3.
What are the key properties of tert-butyl 4-(2-quinolin-4-yl-1,3-thiazol-4-yl)piperidine-1-carboxylate?
tert-butyl 4-(2-quinolin-4-yl-1,3-thiazol-4-yl)piperidine-1-carboxylate has a molecular weight of 395.53 g/mol, XLogP of 5.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-quinolin-4-yl-1,3-thiazol-4-yl)piperidine-1-carboxylate is sourced from PubChem (CID 167762752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).