4-ethoxy-5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,2-thiazole-3,5-diamine

C14H24N4OS — CID 103359185

IUPAC4-ethoxy-5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1NCC1CC2CCC(C1)N2C
InChIInChI=1S/C14H24N4OS/c1-3-19-12-13(15)17-20-14(12)16-8-9-6-10-4-5-11(7-9)18(10)2/h9-11,16H,3-8H2,1-2H3,(H2,15,17)
InChIKeyMLKASINYDSJAQW-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.41
Rot. Bonds5

About 4-ethoxy-5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,2-thiazole-3,5-diamine

4-ethoxy-5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,2-thiazole-3,5-diamine (PubChem CID 103359185) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-ethoxy-5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-ethoxy-5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,2-thiazole-3,5-diamine
PubChem CID103359185
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name4-ethoxy-5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1NCC1CC2CCC(C1)N2C
InChIInChI=1S/C14H24N4OS/c1-3-19-12-13(15)17-20-14(12)16-8-9-6-10-4-5-11(7-9)18(10)2/h9-11,16H,3-8H2,1-2H3,(H2,15,17)
InChIKeyMLKASINYDSJAQW-UHFFFAOYSA-N
XLogP2.41
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-ethoxy-5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,2-thiazole-3,5-diamine (CID 103359185) is 4-ethoxy-5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-ethoxy-5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-ethoxy-5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,2-thiazole-3,5-diamine is CCOc1c(N)nsc1NCC1CC2CCC(C1)N2C.
What is the InChIKey of 4-ethoxy-5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,2-thiazole-3,5-diamine?
The InChIKey is MLKASINYDSJAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-3-19-12-13(15)17-20-14(12)16-8-9-6-10-4-5-11(7-9)18(10)2/h9-11,16H,3-8H2,1-2H3,(H2,15,17).
What are the key properties of 4-ethoxy-5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,2-thiazole-3,5-diamine?
4-ethoxy-5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,2-thiazole-3,5-diamine has a molecular weight of 296.44 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).