2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine

C14H21N3S — CID 112681683

IUPAC2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESCN1C2CCC1CC(c1nc3c(s1)CNCC3)C2
InChIInChI=1S/C14H21N3S/c1-17-10-2-3-11(17)7-9(6-10)14-16-12-4-5-15-8-13(12)18-14/h9-11,15H,2-8H2,1H3
InChIKeyYZGVYFRLHKVIQS-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.13
Rot. Bonds1

About 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine

2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 112681683) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
PubChem CID112681683
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESCN1C2CCC1CC(c1nc3c(s1)CNCC3)C2
InChIInChI=1S/C14H21N3S/c1-17-10-2-3-11(17)7-9(6-10)14-16-12-4-5-15-8-13(12)18-14/h9-11,15H,2-8H2,1H3
InChIKeyYZGVYFRLHKVIQS-UHFFFAOYSA-N
XLogP2.13
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethylcyclohexyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 65413627
6-methyl-2-piperidin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine
CID 19969929
2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738447
4-propan-2-yl-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholine
CID 79665423
2-(oxan-4-yl)-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepine;hydrobromide
CID 162325589
5-methyl-2-piperidin-4-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole
CID 96605170
2-(2-methylpropyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 62549795
N,N-di(propan-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 125456894
2-methylpropyl 4-[[4-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylate
CID 19969977
1-[4-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethanone
CID 112681607
2-(1-adamantyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 55120633
2-(1-methylpyrazol-3-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 65198205

Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (CID 112681683) is 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is CN1C2CCC1CC(c1nc3c(s1)CNCC3)C2.
What is the InChIKey of 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is YZGVYFRLHKVIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-17-10-2-3-11(17)7-9(6-10)14-16-12-4-5-15-8-13(12)18-14/h9-11,15H,2-8H2,1H3.
What are the key properties of 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 263.41 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 112681683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).