1-[2-(1-methoxybutyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine

C12H22N2O2S — CID 114365982

IUPAC1-[2-(1-methoxybutyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCCC(OC)c1nc(COC)c(CNC)s1
InChIInChI=1S/C12H22N2O2S/c1-5-6-10(16-4)12-14-9(8-15-3)11(17-12)7-13-2/h10,13H,5-8H2,1-4H3
InChIKeyGFUBUWSTNIENHC-UHFFFAOYSA-N
MW258.39 g/mol
LogP2.50
Rot. Bonds8

About 1-[2-(1-methoxybutyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine

1-[2-(1-methoxybutyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 114365982) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 1-[2-(1-methoxybutyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(1-methoxybutyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID114365982
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Name1-[2-(1-methoxybutyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCCC(OC)c1nc(COC)c(CNC)s1
InChIInChI=1S/C12H22N2O2S/c1-5-6-10(16-4)12-14-9(8-15-3)11(17-12)7-13-2/h10,13H,5-8H2,1-4H3
InChIKeyGFUBUWSTNIENHC-UHFFFAOYSA-N
XLogP2.50
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methoxybutyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(1-methoxybutyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine (CID 114365982) is 1-[2-(1-methoxybutyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(1-methoxybutyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(1-methoxybutyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine is CCCC(OC)c1nc(COC)c(CNC)s1.
What is the InChIKey of 1-[2-(1-methoxybutyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is GFUBUWSTNIENHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-5-6-10(16-4)12-14-9(8-15-3)11(17-12)7-13-2/h10,13H,5-8H2,1-4H3.
What are the key properties of 1-[2-(1-methoxybutyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-(1-methoxybutyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 258.39 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methoxybutyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 114365982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).