N-ethyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

C14H23N3S — CID 55107201

IUPACN-ethyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2Cc1csc(C)n1
InChIInChI=1S/C14H23N3S/c1-3-15-11-6-13-4-5-14(7-11)17(13)8-12-9-18-10(2)16-12/h9,11,13-15H,3-8H2,1-2H3
InChIKeyMAVKARSLFLJIHM-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.56
Rot. Bonds4

About N-ethyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

N-ethyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 55107201) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is N-ethyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-ethyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID55107201
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC NameN-ethyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2Cc1csc(C)n1
InChIInChI=1S/C14H23N3S/c1-3-15-11-6-13-4-5-14(7-11)17(13)8-12-9-18-10(2)16-12/h9,11,13-15H,3-8H2,1-2H3
InChIKeyMAVKARSLFLJIHM-UHFFFAOYSA-N
XLogP2.56
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-8-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 62740936
8-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 106039600
2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidin-4-amine
CID 54976397
N-ethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]thiolan-3-amine
CID 83196309
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66193207
N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexanamine
CID 28780749
1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 43215967
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 66403179
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 54898941
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 60643680
N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine
CID 63335816
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothian-4-amine
CID 43615105

Frequently Asked Questions

What is the IUPAC name of N-ethyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-ethyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 55107201) is N-ethyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-ethyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-ethyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is CCNC1CC2CCC(C1)N2Cc1csc(C)n1.
What is the InChIKey of N-ethyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is MAVKARSLFLJIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-3-15-11-6-13-4-5-14(7-11)17(13)8-12-9-18-10(2)16-12/h9,11,13-15H,3-8H2,1-2H3.
What are the key properties of N-ethyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
N-ethyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 265.43 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 55107201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).