[6-(1,3-thiazol-5-ylmethoxy)-1,3-benzodioxol-5-yl]methanamine

C12H12N2O3S — CID 112640370

IUPAC[6-(1,3-thiazol-5-ylmethoxy)-1,3-benzodioxol-5-yl]methanamine
SMILESNCc1cc2c(cc1OCc1cncs1)OCO2
InChIInChI=1S/C12H12N2O3S/c13-3-8-1-11-12(17-7-16-11)2-10(8)15-5-9-4-14-6-18-9/h1-2,4,6H,3,5,7,13H2
InChIKeyCNUQCMCMWQQIPZ-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.91
Rot. Bonds4

About [6-(1,3-thiazol-5-ylmethoxy)-1,3-benzodioxol-5-yl]methanamine

[6-(1,3-thiazol-5-ylmethoxy)-1,3-benzodioxol-5-yl]methanamine (PubChem CID 112640370) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is [6-(1,3-thiazol-5-ylmethoxy)-1,3-benzodioxol-5-yl]methanamine.

Molecular Properties

Compound Name[6-(1,3-thiazol-5-ylmethoxy)-1,3-benzodioxol-5-yl]methanamine
PubChem CID112640370
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name[6-(1,3-thiazol-5-ylmethoxy)-1,3-benzodioxol-5-yl]methanamine
SMILESNCc1cc2c(cc1OCc1cncs1)OCO2
InChIInChI=1S/C12H12N2O3S/c13-3-8-1-11-12(17-7-16-11)2-10(8)15-5-9-4-14-6-18-9/h1-2,4,6H,3,5,7,13H2
InChIKeyCNUQCMCMWQQIPZ-UHFFFAOYSA-N
XLogP1.91
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [6-(1,3-thiazol-5-ylmethoxy)-1,3-benzodioxol-5-yl]methanamine 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

1-[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 84594173
N-[(6-ethoxy-1,3-benzodioxol-5-yl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine
CID 110221707
2-[[(6-Methoxy-1,3-benzodioxol-5-yl)methyl](1,3-thiazol-2-ylmethyl)amino]ethanol
CID 91764125
(1S)-N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 97103231
N-[(6-ethoxy-1,3-benzodioxol-5-yl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine;hydrochloride
CID 118741761
N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 75514359
(1R)-N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 97103230
2-[[6-(Difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-1-ethyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]guanidine
CID 109669001
2-[[6-(Difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-1-ethyl-3-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]guanidine
CID 109669023
1-[[6-(Difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylguanidine
CID 109669481
1-[[6-(Difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 109669569
1-[[6-(Difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-2-methyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]guanidine
CID 109669743

Frequently Asked Questions

What is the IUPAC name of [6-(1,3-thiazol-5-ylmethoxy)-1,3-benzodioxol-5-yl]methanamine?
The IUPAC name of [6-(1,3-thiazol-5-ylmethoxy)-1,3-benzodioxol-5-yl]methanamine (CID 112640370) is [6-(1,3-thiazol-5-ylmethoxy)-1,3-benzodioxol-5-yl]methanamine.
What is the SMILES notation for [6-(1,3-thiazol-5-ylmethoxy)-1,3-benzodioxol-5-yl]methanamine?
The canonical SMILES for [6-(1,3-thiazol-5-ylmethoxy)-1,3-benzodioxol-5-yl]methanamine is NCc1cc2c(cc1OCc1cncs1)OCO2.
What is the InChIKey of [6-(1,3-thiazol-5-ylmethoxy)-1,3-benzodioxol-5-yl]methanamine?
The InChIKey is CNUQCMCMWQQIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c13-3-8-1-11-12(17-7-16-11)2-10(8)15-5-9-4-14-6-18-9/h1-2,4,6H,3,5,7,13H2.
What are the key properties of [6-(1,3-thiazol-5-ylmethoxy)-1,3-benzodioxol-5-yl]methanamine?
[6-(1,3-thiazol-5-ylmethoxy)-1,3-benzodioxol-5-yl]methanamine has a molecular weight of 264.31 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1,3-thiazol-5-ylmethoxy)-1,3-benzodioxol-5-yl]methanamine is sourced from PubChem (CID 112640370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).