2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-(methoxymethyl)-1,3-thiazole

C11H17N3OS — CID 107511915

IUPAC2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-(methoxymethyl)-1,3-thiazole
SMILESCOCc1csc(C2CN3CCN2CC3)n1
InChIInChI=1S/C11H17N3OS/c1-15-7-9-8-16-11(12-9)10-6-13-2-4-14(10)5-3-13/h8,10H,2-7H2,1H3
InChIKeyREXVCVWFTQDJRY-UHFFFAOYSA-N
MW239.34 g/mol
LogP0.96
Rot. Bonds3

About 2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-(methoxymethyl)-1,3-thiazole

2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-(methoxymethyl)-1,3-thiazole (PubChem CID 107511915) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-(methoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-(methoxymethyl)-1,3-thiazole
PubChem CID107511915
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-(methoxymethyl)-1,3-thiazole
SMILESCOCc1csc(C2CN3CCN2CC3)n1
InChIInChI=1S/C11H17N3OS/c1-15-7-9-8-16-11(12-9)10-6-13-2-4-14(10)5-3-13/h8,10H,2-7H2,1H3
InChIKeyREXVCVWFTQDJRY-UHFFFAOYSA-N
XLogP0.96
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(chloromethyl)-2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,3-thiazole
CID 79969137
2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-methyl-1,3-thiazole
CID 115777326
2-(2,2-dimethylcyclopropyl)-4-(methoxymethyl)-1,3-thiazole
CID 107924795
4-(methoxymethyl)-2-(3-methylcyclohexyl)-1,3-thiazole
CID 107511846
[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]methanol
CID 79666984
N-[4-(methoxymethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 119301038
2-(cyclopentylmethyl)-4-(methoxymethyl)-1,3-thiazole
CID 100742041
2-[4-(methoxymethyl)-1,3-thiazol-2-yl]-1,1-dimethylhydrazine
CID 131059203
N-[[2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 79974027
2-[cyclopropyl(methoxy)methyl]-4-(methoxymethyl)-1,3-thiazole
CID 107511836
2-[4-(methoxymethyl)-1,3-thiazol-2-yl]aniline
CID 107507057
2-(4-bromothiophen-3-yl)-4-(methoxymethyl)-1,3-thiazole
CID 167839205

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-(methoxymethyl)-1,3-thiazole?
The IUPAC name of 2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-(methoxymethyl)-1,3-thiazole (CID 107511915) is 2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-(methoxymethyl)-1,3-thiazole.
What is the SMILES notation for 2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-(methoxymethyl)-1,3-thiazole?
The canonical SMILES for 2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-(methoxymethyl)-1,3-thiazole is COCc1csc(C2CN3CCN2CC3)n1.
What is the InChIKey of 2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-(methoxymethyl)-1,3-thiazole?
The InChIKey is REXVCVWFTQDJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-15-7-9-8-16-11(12-9)10-6-13-2-4-14(10)5-3-13/h8,10H,2-7H2,1H3.
What are the key properties of 2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-(methoxymethyl)-1,3-thiazole?
2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-(methoxymethyl)-1,3-thiazole has a molecular weight of 239.34 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-(methoxymethyl)-1,3-thiazole is sourced from PubChem (CID 107511915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).