tert-butyl N-[[1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperidin-3-yl]methyl]carbamate

C19H30N4O3S — CID 172654604

IUPACtert-butyl N-[[1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperidin-3-yl]methyl]carbamate
SMILESCN1CCc2nc(C(=O)N3CCCC(CNC(=O)OC(C)(C)C)C3)sc2C1
InChIInChI=1S/C19H30N4O3S/c1-19(2,3)26-18(25)20-10-13-6-5-8-23(11-13)17(24)16-21-14-7-9-22(4)12-15(14)27-16/h13H,5-12H2,1-4H3,(H,20,25)
InChIKeyXYJLAMQLQLPNFV-UHFFFAOYSA-N
MW394.54 g/mol
LogP2.51
Rot. Bonds3

About tert-butyl N-[[1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperidin-3-yl]methyl]carbamate

tert-butyl N-[[1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperidin-3-yl]methyl]carbamate (PubChem CID 172654604) has the molecular formula C19H30N4O3S and a molecular weight of 394.54 g/mol. Its IUPAC name is tert-butyl N-[[1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperidin-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperidin-3-yl]methyl]carbamate
PubChem CID172654604
Molecular FormulaC19H30N4O3S
Molecular Weight394.54 g/mol
Exact Mass394.20
IUPAC Nametert-butyl N-[[1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperidin-3-yl]methyl]carbamate
SMILESCN1CCc2nc(C(=O)N3CCCC(CNC(=O)OC(C)(C)C)C3)sc2C1
InChIInChI=1S/C19H30N4O3S/c1-19(2,3)26-18(25)20-10-13-6-5-8-23(11-13)17(24)16-21-14-7-9-22(4)12-15(14)27-16/h13H,5-12H2,1-4H3,(H,20,25)
InChIKeyXYJLAMQLQLPNFV-UHFFFAOYSA-N
XLogP2.51
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[(1R,2S)-2-[methyl-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]carbamate
CID 68907891
methyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-1-carboxylate
CID 141463922
tert-butyl N-[[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]carbamate
CID 94824268
tert-butyl N-[[(3R)-1-(2,6-difluorobenzoyl)piperidin-3-yl]methyl]carbamate
CID 97007691
methyl 3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
CID 141308185
tert-butyl N-[[1-[2-(4-methylcyclohexylidene)acetyl]piperidin-3-yl]methyl]carbamate
CID 86953035
tert-butyl N-[[(3R)-1-(1,3,4-thiadiazol-2-ylcarbamoyl)piperidin-3-yl]methyl]carbamate
CID 94780613
tert-butyl N-[[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]methyl]carbamate
CID 52761217
2,2-dimethyl-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propan-1-one
CID 83388806
tert-butyl N-[[(3S)-1-(3-methyl-2-nitrobenzoyl)piperidin-3-yl]methyl]carbamate
CID 97007330
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-[(1-acetylpyrrolidin-3-yl)methyl]carbamate
CID 86648179

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperidin-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperidin-3-yl]methyl]carbamate (CID 172654604) is tert-butyl N-[[1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperidin-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperidin-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperidin-3-yl]methyl]carbamate is CN1CCc2nc(C(=O)N3CCCC(CNC(=O)OC(C)(C)C)C3)sc2C1.
What is the InChIKey of tert-butyl N-[[1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperidin-3-yl]methyl]carbamate?
The InChIKey is XYJLAMQLQLPNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3S/c1-19(2,3)26-18(25)20-10-13-6-5-8-23(11-13)17(24)16-21-14-7-9-22(4)12-15(14)27-16/h13H,5-12H2,1-4H3,(H,20,25).
What are the key properties of tert-butyl N-[[1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperidin-3-yl]methyl]carbamate?
tert-butyl N-[[1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperidin-3-yl]methyl]carbamate has a molecular weight of 394.54 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperidin-3-yl]methyl]carbamate is sourced from PubChem (CID 172654604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).