2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methoxy-N-(2-methoxyethyl)propan-2-amine

C12H22N2O2S — CID 55084739

IUPAC2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methoxy-N-(2-methoxyethyl)propan-2-amine
SMILESCOCCNC(C)(COC)c1nc(C)c(C)s1
InChIInChI=1S/C12H22N2O2S/c1-9-10(2)17-11(14-9)12(3,8-16-5)13-6-7-15-4/h13H,6-8H2,1-5H3
InChIKeyJLVFRSXYLQBPLB-UHFFFAOYSA-N
MW258.39 g/mol
LogP1.86
Rot. Bonds7

About 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methoxy-N-(2-methoxyethyl)propan-2-amine

2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methoxy-N-(2-methoxyethyl)propan-2-amine (PubChem CID 55084739) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methoxy-N-(2-methoxyethyl)propan-2-amine.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methoxy-N-(2-methoxyethyl)propan-2-amine
PubChem CID55084739
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methoxy-N-(2-methoxyethyl)propan-2-amine
SMILESCOCCNC(C)(COC)c1nc(C)c(C)s1
InChIInChI=1S/C12H22N2O2S/c1-9-10(2)17-11(14-9)12(3,8-16-5)13-6-7-15-4/h13H,6-8H2,1-5H3
InChIKeyJLVFRSXYLQBPLB-UHFFFAOYSA-N
XLogP1.86
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methoxy-N-(2-methoxyethyl)propan-2-amine?
The IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methoxy-N-(2-methoxyethyl)propan-2-amine (CID 55084739) is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methoxy-N-(2-methoxyethyl)propan-2-amine.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methoxy-N-(2-methoxyethyl)propan-2-amine?
The canonical SMILES for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methoxy-N-(2-methoxyethyl)propan-2-amine is COCCNC(C)(COC)c1nc(C)c(C)s1.
What is the InChIKey of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methoxy-N-(2-methoxyethyl)propan-2-amine?
The InChIKey is JLVFRSXYLQBPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-9-10(2)17-11(14-9)12(3,8-16-5)13-6-7-15-4/h13H,6-8H2,1-5H3.
What are the key properties of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methoxy-N-(2-methoxyethyl)propan-2-amine?
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methoxy-N-(2-methoxyethyl)propan-2-amine has a molecular weight of 258.39 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methoxy-N-(2-methoxyethyl)propan-2-amine is sourced from PubChem (CID 55084739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).