5-[2-(3-methoxypropoxy)ethoxymethyl]-N-propyl-1,3-thiazol-2-amine

C13H24N2O3S — CID 103180550

IUPAC5-[2-(3-methoxypropoxy)ethoxymethyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(COCCOCCCOC)s1
InChIInChI=1S/C13H24N2O3S/c1-3-5-14-13-15-10-12(19-13)11-18-9-8-17-7-4-6-16-2/h10H,3-9,11H2,1-2H3,(H,14,15)
InChIKeyNHROMHFBDKYVIR-UHFFFAOYSA-N
MW288.41 g/mol
LogP2.53
Rot. Bonds12

About 5-[2-(3-methoxypropoxy)ethoxymethyl]-N-propyl-1,3-thiazol-2-amine

5-[2-(3-methoxypropoxy)ethoxymethyl]-N-propyl-1,3-thiazol-2-amine (PubChem CID 103180550) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 5-[2-(3-methoxypropoxy)ethoxymethyl]-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[2-(3-methoxypropoxy)ethoxymethyl]-N-propyl-1,3-thiazol-2-amine
PubChem CID103180550
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name5-[2-(3-methoxypropoxy)ethoxymethyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(COCCOCCCOC)s1
InChIInChI=1S/C13H24N2O3S/c1-3-5-14-13-15-10-12(19-13)11-18-9-8-17-7-4-6-16-2/h10H,3-9,11H2,1-2H3,(H,14,15)
InChIKeyNHROMHFBDKYVIR-UHFFFAOYSA-N
XLogP2.53
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[2-(3-methoxypropoxy)ethoxymethyl]-N-propyl-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-5-(3-methoxypropoxymethyl)-1,3-thiazol-2-amine
CID 79774095
[5-(3-methoxypropoxymethyl)-1,3-thiazol-2-yl]hydrazine
CID 79763909
5-(2-cyclobutylethoxymethyl)-N-propyl-1,3-thiazol-2-amine
CID 114157919
5-(2-methylpropoxymethyl)-N-propyl-1,3-thiazol-2-amine
CID 79774588
5-ethyl-N-propyl-1,3-thiazol-2-amine
CID 62943674
5-[(4-propoxyphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79762271
5-(cycloheptyloxymethyl)-N-propyl-1,3-thiazol-2-amine
CID 79774505
N-propyl-5-[(2,4,6-trimethylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79774785
5-[(4-fluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79775240
5-(3-methoxypropoxymethyl)-N-propylpyridin-2-amine
CID 62193134
5-(octan-2-yloxymethyl)-N-propyl-1,3-thiazol-2-amine
CID 79774300
N-methyl-5-[2-[2-(propylamino)-1,3-thiazol-5-yl]ethyl]-1,3-thiazol-2-amine
CID 79774348

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-methoxypropoxy)ethoxymethyl]-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[2-(3-methoxypropoxy)ethoxymethyl]-N-propyl-1,3-thiazol-2-amine (CID 103180550) is 5-[2-(3-methoxypropoxy)ethoxymethyl]-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[2-(3-methoxypropoxy)ethoxymethyl]-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[2-(3-methoxypropoxy)ethoxymethyl]-N-propyl-1,3-thiazol-2-amine is CCCNc1ncc(COCCOCCCOC)s1.
What is the InChIKey of 5-[2-(3-methoxypropoxy)ethoxymethyl]-N-propyl-1,3-thiazol-2-amine?
The InChIKey is NHROMHFBDKYVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-3-5-14-13-15-10-12(19-13)11-18-9-8-17-7-4-6-16-2/h10H,3-9,11H2,1-2H3,(H,14,15).
What are the key properties of 5-[2-(3-methoxypropoxy)ethoxymethyl]-N-propyl-1,3-thiazol-2-amine?
5-[2-(3-methoxypropoxy)ethoxymethyl]-N-propyl-1,3-thiazol-2-amine has a molecular weight of 288.41 g/mol, XLogP of 2.53, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-methoxypropoxy)ethoxymethyl]-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 103180550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).