N-[[4-[3-(2-methoxyethoxy)propoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine

C15H28N2O3S — CID 103406187

IUPACN-[[4-[3-(2-methoxyethoxy)propoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCOCCOCCCOCc1csc(CNCC(C)C)n1
InChIInChI=1S/C15H28N2O3S/c1-13(2)9-16-10-15-17-14(12-21-15)11-20-6-4-5-19-8-7-18-3/h12-13,16H,4-11H2,1-3H3
InChIKeyOMSKRBIHRLAZLD-UHFFFAOYSA-N
MW316.47 g/mol
LogP2.46
Rot. Bonds13

About N-[[4-[3-(2-methoxyethoxy)propoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine

N-[[4-[3-(2-methoxyethoxy)propoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 103406187) has the molecular formula C15H28N2O3S and a molecular weight of 316.47 g/mol. Its IUPAC name is N-[[4-[3-(2-methoxyethoxy)propoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-[3-(2-methoxyethoxy)propoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID103406187
Molecular FormulaC15H28N2O3S
Molecular Weight316.47 g/mol
Exact Mass316.18
IUPAC NameN-[[4-[3-(2-methoxyethoxy)propoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCOCCOCCCOCc1csc(CNCC(C)C)n1
InChIInChI=1S/C15H28N2O3S/c1-13(2)9-16-10-15-17-14(12-21-15)11-20-6-4-5-19-8-7-18-3/h12-13,16H,4-11H2,1-3H3
InChIKeyOMSKRBIHRLAZLD-UHFFFAOYSA-N
XLogP2.46
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 N-[[4-[3-(2-methoxyethoxy)propoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-[3-(2-methoxyethoxy)propoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine (CID 103406187) is N-[[4-[3-(2-methoxyethoxy)propoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-[3-(2-methoxyethoxy)propoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-[3-(2-methoxyethoxy)propoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine is COCCOCCCOCc1csc(CNCC(C)C)n1.
What is the InChIKey of N-[[4-[3-(2-methoxyethoxy)propoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is OMSKRBIHRLAZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3S/c1-13(2)9-16-10-15-17-14(12-21-15)11-20-6-4-5-19-8-7-18-3/h12-13,16H,4-11H2,1-3H3.
What are the key properties of N-[[4-[3-(2-methoxyethoxy)propoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine?
N-[[4-[3-(2-methoxyethoxy)propoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 316.47 g/mol, XLogP of 2.46, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-(2-methoxyethoxy)propoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 103406187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).