2-methyl-N-[[4-[2-(2-methylpropoxy)ethoxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine

C15H28N2O2S — CID 106449918

IUPAC2-methyl-N-[[4-[2-(2-methylpropoxy)ethoxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)COCCOCc1csc(CNC(C)(C)C)n1
InChIInChI=1S/C15H28N2O2S/c1-12(2)9-18-6-7-19-10-13-11-20-14(17-13)8-16-15(3,4)5/h11-12,16H,6-10H2,1-5H3
InChIKeyQELHMYMZTFSDJY-UHFFFAOYSA-N
MW300.47 g/mol
LogP3.22
Rot. Bonds9

About 2-methyl-N-[[4-[2-(2-methylpropoxy)ethoxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine

2-methyl-N-[[4-[2-(2-methylpropoxy)ethoxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine (PubChem CID 106449918) has the molecular formula C15H28N2O2S and a molecular weight of 300.47 g/mol. Its IUPAC name is 2-methyl-N-[[4-[2-(2-methylpropoxy)ethoxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-[2-(2-methylpropoxy)ethoxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
PubChem CID106449918
Molecular FormulaC15H28N2O2S
Molecular Weight300.47 g/mol
Exact Mass300.19
IUPAC Name2-methyl-N-[[4-[2-(2-methylpropoxy)ethoxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)COCCOCc1csc(CNC(C)(C)C)n1
InChIInChI=1S/C15H28N2O2S/c1-12(2)9-18-6-7-19-10-13-11-20-14(17-13)8-16-15(3,4)5/h11-12,16H,6-10H2,1-5H3
InChIKeyQELHMYMZTFSDJY-UHFFFAOYSA-N
XLogP3.22
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.22
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-methyl-N-[[4-[2-(2-methylpropoxy)ethoxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[4-[2-(2-methylpropoxy)ethoxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine (CID 106449918) is 2-methyl-N-[[4-[2-(2-methylpropoxy)ethoxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[4-[2-(2-methylpropoxy)ethoxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[4-[2-(2-methylpropoxy)ethoxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine is CC(C)COCCOCc1csc(CNC(C)(C)C)n1.
What is the InChIKey of 2-methyl-N-[[4-[2-(2-methylpropoxy)ethoxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine?
The InChIKey is QELHMYMZTFSDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2S/c1-12(2)9-18-6-7-19-10-13-11-20-14(17-13)8-16-15(3,4)5/h11-12,16H,6-10H2,1-5H3.
What are the key properties of 2-methyl-N-[[4-[2-(2-methylpropoxy)ethoxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine?
2-methyl-N-[[4-[2-(2-methylpropoxy)ethoxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine has a molecular weight of 300.47 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-[2-(2-methylpropoxy)ethoxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 106449918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).