3-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine

C13H22N4S — CID 55013908

IUPAC3-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCN(Cc1cscn1)C1(CN)CN2CCC1CC2
InChIInChI=1S/C13H22N4S/c1-16(6-12-7-18-10-15-12)13(8-14)9-17-4-2-11(13)3-5-17/h7,10-11H,2-6,8-9,14H2,1H3
InChIKeyCAFDBSKOYQXMDD-UHFFFAOYSA-N
MW266.41 g/mol
LogP1.00
Rot. Bonds4

About 3-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine

3-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 55013908) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is 3-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID55013908
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC Name3-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCN(Cc1cscn1)C1(CN)CN2CCC1CC2
InChIInChI=1S/C13H22N4S/c1-16(6-12-7-18-10-15-12)13(8-14)9-17-4-2-11(13)3-5-17/h7,10-11H,2-6,8-9,14H2,1H3
InChIKeyCAFDBSKOYQXMDD-UHFFFAOYSA-N
XLogP1.00
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 63014975
1-(aminomethyl)-3-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine
CID 106821948
4-(aminomethyl)-1-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)azepan-4-amine
CID 65075665
1-(aminomethyl)-3-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine
CID 64624835
4-(aminomethyl)-N-methyl-1,1-dioxo-N-(1,3-thiazol-4-ylmethyl)thian-4-amine
CID 55013447
trans-(1R,2R)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclopentan-1-ol
CID 102734625
2-[1-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclopropyl]ethanamine
CID 65481332
2-[1-[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 55012085
trans-(1R,2R)-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-4-ylmethyl)cyclopentan-1-amine
CID 99106889
3-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclopentane-1-carboxamide
CID 66010670
4-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclohexan-1-one
CID 79120259
N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-1-carboxamide
CID 115592952

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine (CID 55013908) is 3-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine is CN(Cc1cscn1)C1(CN)CN2CCC1CC2.
What is the InChIKey of 3-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is CAFDBSKOYQXMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-16(6-12-7-18-10-15-12)13(8-14)9-17-4-2-11(13)3-5-17/h7,10-11H,2-6,8-9,14H2,1H3.
What are the key properties of 3-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine?
3-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 266.41 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 55013908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).