N-[(3-ethoxy-2-prop-2-enoxyphenyl)methyl]-1,3-thiazol-2-amine

C15H18N2O2S — CID 2214016

IUPACN-[(3-ethoxy-2-prop-2-enoxyphenyl)methyl]-1,3-thiazol-2-amine
SMILESC=CCOc1c(CNc2nccs2)cccc1OCC
InChIInChI=1S/C15H18N2O2S/c1-3-9-19-14-12(6-5-7-13(14)18-4-2)11-17-15-16-8-10-20-15/h3,5-8,10H,1,4,9,11H2,2H3,(H,16,17)
InChIKeyHATDOIIFKXUCRN-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.72
Rot. Bonds8

About N-[(3-ethoxy-2-prop-2-enoxyphenyl)methyl]-1,3-thiazol-2-amine

N-[(3-ethoxy-2-prop-2-enoxyphenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 2214016) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[(3-ethoxy-2-prop-2-enoxyphenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(3-ethoxy-2-prop-2-enoxyphenyl)methyl]-1,3-thiazol-2-amine
PubChem CID2214016
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-[(3-ethoxy-2-prop-2-enoxyphenyl)methyl]-1,3-thiazol-2-amine
SMILESC=CCOc1c(CNc2nccs2)cccc1OCC
InChIInChI=1S/C15H18N2O2S/c1-3-9-19-14-12(6-5-7-13(14)18-4-2)11-17-15-16-8-10-20-15/h3,5-8,10H,1,4,9,11H2,2H3,(H,16,17)
InChIKeyHATDOIIFKXUCRN-UHFFFAOYSA-N
XLogP3.72
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(3-ethoxy-2-prop-2-enoxyphenyl)methyl]-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 N-[(3-ethoxy-2-prop-2-enoxyphenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[(3-ethoxy-2-prop-2-enoxyphenyl)methyl]-1,3-thiazol-2-amine (CID 2214016) is N-[(3-ethoxy-2-prop-2-enoxyphenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(3-ethoxy-2-prop-2-enoxyphenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[(3-ethoxy-2-prop-2-enoxyphenyl)methyl]-1,3-thiazol-2-amine is C=CCOc1c(CNc2nccs2)cccc1OCC.
What is the InChIKey of N-[(3-ethoxy-2-prop-2-enoxyphenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is HATDOIIFKXUCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-3-9-19-14-12(6-5-7-13(14)18-4-2)11-17-15-16-8-10-20-15/h3,5-8,10H,1,4,9,11H2,2H3,(H,16,17).
What are the key properties of N-[(3-ethoxy-2-prop-2-enoxyphenyl)methyl]-1,3-thiazol-2-amine?
N-[(3-ethoxy-2-prop-2-enoxyphenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 290.39 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-2-prop-2-enoxyphenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 2214016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).