tert-butyl 8-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboxylate

C17H26N4O2S — CID 170947615

IUPACtert-butyl 8-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2CCC(C1)N2c1nc2c(s1)CCNC2
InChIInChI=1S/C17H26N4O2S/c1-17(2,3)23-16(22)20-9-11-4-5-12(10-20)21(11)15-19-13-8-18-7-6-14(13)24-15/h11-12,18H,4-10H2,1-3H3
InChIKeyOORLYVKPVGRMMT-UHFFFAOYSA-N
MW350.49 g/mol
LogP2.38
Rot. Bonds1

About tert-butyl 8-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboxylate

tert-butyl 8-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboxylate (PubChem CID 170947615) has the molecular formula C17H26N4O2S and a molecular weight of 350.49 g/mol. Its IUPAC name is tert-butyl 8-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 8-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboxylate
PubChem CID170947615
Molecular FormulaC17H26N4O2S
Molecular Weight350.49 g/mol
Exact Mass350.18
IUPAC Nametert-butyl 8-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2CCC(C1)N2c1nc2c(s1)CCNC2
InChIInChI=1S/C17H26N4O2S/c1-17(2,3)23-16(22)20-9-11-4-5-12(10-20)21(11)15-19-13-8-18-7-6-14(13)24-15/h11-12,18H,4-10H2,1-3H3
InChIKeyOORLYVKPVGRMMT-UHFFFAOYSA-N
XLogP2.38
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 8-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboxylate with MolForge

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Related Compounds

tert-butyl 8-[6-(trifluoromethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate
CID 155733544
tert-butyl 8-[5-[2-(4,4-difluorocyclohexyl)acetyl]-7,7-dimethyl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate
CID 170947556
tert-butyl 7-[tert-butyl(dimethyl)silyl]oxy-9-[5-(2-cyclopentylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3,9-diazabicyclo[3.3.1]nonane-3-carboxylate
CID 170947377
tert-butyl 8-cyclopropyl-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;ethane
CID 153403871
tert-butyl 8-(7-cyano-10,10-dimethyl-4-oxo-9H-[1,3]thiazolo[4,5-b]carbazol-2-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboxylate
CID 123508043
tert-butyl 8-[4-bromo-6-(cyclopentylcarbamoyl)-1,3-benzothiazol-2-yl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate
CID 164874988
tert-butyl 8-[6-(cyclopentylcarbamoyl)-7-methoxy-1,3-benzothiazol-2-yl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate
CID 164874946
tert-butyl (3aS,8aR)-3,3a,4,5,6,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine-2-carboxylate
CID 71306003
tert-butyl (5S)-8-(4-cyanophenyl)-3,8-diazabicyclo[3.2.1]octane-3-carboxylate
CID 167423674
tert-butyl 3-(2-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 163223039
tert-butyl 8-(4-formylphenyl)-3,8-diazabicyclo[3.2.1]octane-3-carboxylate
CID 177309388
tert-butyl 8-[4-(2,6-dioxopiperidin-3-yl)phenyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate
CID 164540869

Frequently Asked Questions

What is the IUPAC name of tert-butyl 8-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboxylate?
The IUPAC name of tert-butyl 8-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboxylate (CID 170947615) is tert-butyl 8-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboxylate.
What is the SMILES notation for tert-butyl 8-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboxylate?
The canonical SMILES for tert-butyl 8-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboxylate is CC(C)(C)OC(=O)N1CC2CCC(C1)N2c1nc2c(s1)CCNC2.
What is the InChIKey of tert-butyl 8-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboxylate?
The InChIKey is OORLYVKPVGRMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2S/c1-17(2,3)23-16(22)20-9-11-4-5-12(10-20)21(11)15-19-13-8-18-7-6-14(13)24-15/h11-12,18H,4-10H2,1-3H3.
What are the key properties of tert-butyl 8-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboxylate?
tert-butyl 8-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboxylate has a molecular weight of 350.49 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 8-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboxylate is sourced from PubChem (CID 170947615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).