5-(2-cyclobutylethoxymethyl)-N-propyl-1,3-thiazol-2-amine

C13H22N2OS — CID 114157919

IUPAC5-(2-cyclobutylethoxymethyl)-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(COCCC2CCC2)s1
InChIInChI=1S/C13H22N2OS/c1-2-7-14-13-15-9-12(17-13)10-16-8-6-11-4-3-5-11/h9,11H,2-8,10H2,1H3,(H,14,15)
InChIKeyQUQOCCGWIHTFFE-UHFFFAOYSA-N
MW254.40 g/mol
LogP3.67
Rot. Bonds8

About 5-(2-cyclobutylethoxymethyl)-N-propyl-1,3-thiazol-2-amine

5-(2-cyclobutylethoxymethyl)-N-propyl-1,3-thiazol-2-amine (PubChem CID 114157919) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 5-(2-cyclobutylethoxymethyl)-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2-cyclobutylethoxymethyl)-N-propyl-1,3-thiazol-2-amine
PubChem CID114157919
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name5-(2-cyclobutylethoxymethyl)-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(COCCC2CCC2)s1
InChIInChI=1S/C13H22N2OS/c1-2-7-14-13-15-9-12(17-13)10-16-8-6-11-4-3-5-11/h9,11H,2-8,10H2,1H3,(H,14,15)
InChIKeyQUQOCCGWIHTFFE-UHFFFAOYSA-N
XLogP3.67
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(2-cyclobutylethoxymethyl)-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

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclobutylethoxymethyl)-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(2-cyclobutylethoxymethyl)-N-propyl-1,3-thiazol-2-amine (CID 114157919) is 5-(2-cyclobutylethoxymethyl)-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2-cyclobutylethoxymethyl)-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2-cyclobutylethoxymethyl)-N-propyl-1,3-thiazol-2-amine is CCCNc1ncc(COCCC2CCC2)s1.
What is the InChIKey of 5-(2-cyclobutylethoxymethyl)-N-propyl-1,3-thiazol-2-amine?
The InChIKey is QUQOCCGWIHTFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-2-7-14-13-15-9-12(17-13)10-16-8-6-11-4-3-5-11/h9,11H,2-8,10H2,1H3,(H,14,15).
What are the key properties of 5-(2-cyclobutylethoxymethyl)-N-propyl-1,3-thiazol-2-amine?
5-(2-cyclobutylethoxymethyl)-N-propyl-1,3-thiazol-2-amine has a molecular weight of 254.40 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclobutylethoxymethyl)-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 114157919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).