N-methyl-1-[4-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methanamine

C14H23N3S — CID 112681681

IUPACN-methyl-1-[4-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methanamine
SMILESCNCc1sc(C2CC3CCC(C2)N3C)nc1C
InChIInChI=1S/C14H23N3S/c1-9-13(8-15-2)18-14(16-9)10-6-11-4-5-12(7-10)17(11)3/h10-12,15H,4-8H2,1-3H3
InChIKeyFQQNRFZVFSVUTL-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.51
Rot. Bonds3

About N-methyl-1-[4-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methanamine

N-methyl-1-[4-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 112681681) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID112681681
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC NameN-methyl-1-[4-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methanamine
SMILESCNCc1sc(C2CC3CCC(C2)N3C)nc1C
InChIInChI=1S/C14H23N3S/c1-9-13(8-15-2)18-14(16-9)10-6-11-4-5-12(7-10)17(11)3/h10-12,15H,4-8H2,1-3H3
InChIKeyFQQNRFZVFSVUTL-UHFFFAOYSA-N
XLogP2.51
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[4-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methanamine (CID 112681681) is N-methyl-1-[4-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methanamine is CNCc1sc(C2CC3CCC(C2)N3C)nc1C.
What is the InChIKey of N-methyl-1-[4-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is FQQNRFZVFSVUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-9-13(8-15-2)18-14(16-9)10-6-11-4-5-12(7-10)17(11)3/h10-12,15H,4-8H2,1-3H3.
What are the key properties of N-methyl-1-[4-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methanamine?
N-methyl-1-[4-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 265.43 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 112681681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).