tert-butyl N-[2-methyl-1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]carbamate

C20H27N3O2S — CID 133395620

IUPACtert-butyl N-[2-methyl-1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]carbamate
SMILESCC1CC(NC(=O)OC(C)(C)C)CCN1c1nc(-c2ccccc2)cs1
InChIInChI=1S/C20H27N3O2S/c1-14-12-16(21-19(24)25-20(2,3)4)10-11-23(14)18-22-17(13-26-18)15-8-6-5-7-9-15/h5-9,13-14,16H,10-12H2,1-4H3,(H,21,24)
InChIKeyNMDOKOYYIGXYOO-UHFFFAOYSA-N
MW373.52 g/mol
LogP4.69
Rot. Bonds3

About tert-butyl N-[2-methyl-1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]carbamate

tert-butyl N-[2-methyl-1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]carbamate (PubChem CID 133395620) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is tert-butyl N-[2-methyl-1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-methyl-1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]carbamate
PubChem CID133395620
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Nametert-butyl N-[2-methyl-1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]carbamate
SMILESCC1CC(NC(=O)OC(C)(C)C)CCN1c1nc(-c2ccccc2)cs1
InChIInChI=1S/C20H27N3O2S/c1-14-12-16(21-19(24)25-20(2,3)4)10-11-23(14)18-22-17(13-26-18)15-8-6-5-7-9-15/h5-9,13-14,16H,10-12H2,1-4H3,(H,21,24)
InChIKeyNMDOKOYYIGXYOO-UHFFFAOYSA-N
XLogP4.69
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-(2-tert-butylpyrimidin-4-yl)-2-methylpiperidin-4-yl]carbamate
CID 133395545
tert-butyl N-[1-(1-chloroisoquinolin-3-yl)-2-methylpiperidin-4-yl]carbamate
CID 133395576
tert-butyl N-[1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methylpiperidin-4-yl]carbamate
CID 133395518
tert-butyl N-[1-(5-bromopyrimidin-2-yl)-2-methylpiperidin-4-yl]carbamate
CID 133395587
tert-butyl N-[2-methyl-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidin-4-yl]carbamate
CID 133395511
tert-butyl N-[2-methyl-1-(2-nitrophenyl)piperidin-4-yl]carbamate
CID 133395563
tert-butyl N-[2-methyl-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-yl]carbamate
CID 133395581
tert-butyl N-[2-[4-[[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]amino]phenyl]ethyl]carbamate formate
CID 18173840
tert-butyl N-[1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrrolidin-3-yl]carbamate
CID 135630848
tert-butyl N-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-2-methylpiperidin-4-yl]carbamate
CID 133395574
tert-butyl N-[(4-phenyl-1,3-thiazol-2-yl)amino]carbamate
CID 89465893
tert-butyl N-[3-(4-phenylphenyl)cyclohexyl]carbamate
CID 139378275

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-methyl-1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[2-methyl-1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]carbamate (CID 133395620) is tert-butyl N-[2-methyl-1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-methyl-1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-methyl-1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]carbamate is CC1CC(NC(=O)OC(C)(C)C)CCN1c1nc(-c2ccccc2)cs1.
What is the InChIKey of tert-butyl N-[2-methyl-1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]carbamate?
The InChIKey is NMDOKOYYIGXYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-14-12-16(21-19(24)25-20(2,3)4)10-11-23(14)18-22-17(13-26-18)15-8-6-5-7-9-15/h5-9,13-14,16H,10-12H2,1-4H3,(H,21,24).
What are the key properties of tert-butyl N-[2-methyl-1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]carbamate?
tert-butyl N-[2-methyl-1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]carbamate has a molecular weight of 373.52 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-methyl-1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]carbamate is sourced from PubChem (CID 133395620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).