5-(1,3-benzodioxol-5-yloxymethyl)-N-ethyl-1,3-thiazol-2-amine

C13H14N2O3S — CID 79775055

IUPAC5-(1,3-benzodioxol-5-yloxymethyl)-N-ethyl-1,3-thiazol-2-amine
SMILESCCNc1ncc(COc2ccc3c(c2)OCO3)s1
InChIInChI=1S/C13H14N2O3S/c1-2-14-13-15-6-10(19-13)7-16-9-3-4-11-12(5-9)18-8-17-11/h3-6H,2,7-8H2,1H3,(H,14,15)
InChIKeyZIJWJNZTHNJHAQ-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.88
Rot. Bonds5

About 5-(1,3-benzodioxol-5-yloxymethyl)-N-ethyl-1,3-thiazol-2-amine

5-(1,3-benzodioxol-5-yloxymethyl)-N-ethyl-1,3-thiazol-2-amine (PubChem CID 79775055) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yloxymethyl)-N-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yloxymethyl)-N-ethyl-1,3-thiazol-2-amine
PubChem CID79775055
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name5-(1,3-benzodioxol-5-yloxymethyl)-N-ethyl-1,3-thiazol-2-amine
SMILESCCNc1ncc(COc2ccc3c(c2)OCO3)s1
InChIInChI=1S/C13H14N2O3S/c1-2-14-13-15-6-10(19-13)7-16-9-3-4-11-12(5-9)18-8-17-11/h3-6H,2,7-8H2,1H3,(H,14,15)
InChIKeyZIJWJNZTHNJHAQ-UHFFFAOYSA-N
XLogP2.88
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(1,3-benzodioxol-5-yloxymethyl)-N-ethyl-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

5-[(3,4-dichlorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79774030
5-[(3-chloro-4-fluorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79775260
N-ethyl-5-[(3-fluorophenoxy)methyl]-1,3-thiazol-2-amine
CID 79774764
N-ethyl-5-[(3-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79775041
5-[(3,4-difluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79775254
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-propyl-1,3-thiazol-2-amine
CID 79774302
5-[(4-propoxyphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79762271
5-[(2,4-dibromophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79774037
4-(1,3-benzodioxol-5-yloxymethyl)-N-propylthiadiazol-5-amine
CID 62193091
1-(1,3-benzodioxol-5-yloxy)-2-methylpropan-2-amine
CID 28917569
5-[(4-fluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79775240
5-(cyclopentyloxymethyl)-N-ethyl-1,3-thiazol-2-amine
CID 79773903

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yloxymethyl)-N-ethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(1,3-benzodioxol-5-yloxymethyl)-N-ethyl-1,3-thiazol-2-amine (CID 79775055) is 5-(1,3-benzodioxol-5-yloxymethyl)-N-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yloxymethyl)-N-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(1,3-benzodioxol-5-yloxymethyl)-N-ethyl-1,3-thiazol-2-amine is CCNc1ncc(COc2ccc3c(c2)OCO3)s1.
What is the InChIKey of 5-(1,3-benzodioxol-5-yloxymethyl)-N-ethyl-1,3-thiazol-2-amine?
The InChIKey is ZIJWJNZTHNJHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-2-14-13-15-6-10(19-13)7-16-9-3-4-11-12(5-9)18-8-17-11/h3-6H,2,7-8H2,1H3,(H,14,15).
What are the key properties of 5-(1,3-benzodioxol-5-yloxymethyl)-N-ethyl-1,3-thiazol-2-amine?
5-(1,3-benzodioxol-5-yloxymethyl)-N-ethyl-1,3-thiazol-2-amine has a molecular weight of 278.33 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yloxymethyl)-N-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 79775055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).