1-(7-methoxy-1,3-benzodioxol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine

C14H16N2O3S — CID 47185966

IUPAC1-(7-methoxy-1,3-benzodioxol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCOc1cc(CNCc2nc(C)cs2)cc2c1OCO2
InChIInChI=1S/C14H16N2O3S/c1-9-7-20-13(16-9)6-15-5-10-3-11(17-2)14-12(4-10)18-8-19-14/h3-4,7,15H,5-6,8H2,1-2H3
InChIKeyOPOWLXNODSFITM-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.48
Rot. Bonds5

About 1-(7-methoxy-1,3-benzodioxol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine

1-(7-methoxy-1,3-benzodioxol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine (PubChem CID 47185966) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 1-(7-methoxy-1,3-benzodioxol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(7-methoxy-1,3-benzodioxol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
PubChem CID47185966
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name1-(7-methoxy-1,3-benzodioxol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCOc1cc(CNCc2nc(C)cs2)cc2c1OCO2
InChIInChI=1S/C14H16N2O3S/c1-9-7-20-13(16-9)6-15-5-10-3-11(17-2)14-12(4-10)18-8-19-14/h3-4,7,15H,5-6,8H2,1-2H3
InChIKeyOPOWLXNODSFITM-UHFFFAOYSA-N
XLogP2.48
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(7-methoxy-1,3-benzodioxol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine with MolForge

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Related Compounds

N,N'-bis[(7-methoxy-1,3-benzodioxol-5-yl)methyl]propane-1,3-diamine
CID 134686709
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2,2-dimethylpropan-1-amine
CID 115592517
2-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]ethanol
CID 115572492
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]prop-2-en-1-amine
CID 115572023
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 115639078
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2,2-dimethylbutan-1-amine
CID 103460586
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-methylbut-2-en-1-amine
CID 103528019
4-methoxy-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]butan-1-amine
CID 115608350
N',N'-diethyl-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]ethane-1,2-diamine
CID 115574436
5-[[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine;hydrochloride
CID 56808745
4-[[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]methyl]cyclohexan-1-ol
CID 106124710
3-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 115745067

Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-1,3-benzodioxol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(7-methoxy-1,3-benzodioxol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine (CID 47185966) is 1-(7-methoxy-1,3-benzodioxol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(7-methoxy-1,3-benzodioxol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(7-methoxy-1,3-benzodioxol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine is COc1cc(CNCc2nc(C)cs2)cc2c1OCO2.
What is the InChIKey of 1-(7-methoxy-1,3-benzodioxol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The InChIKey is OPOWLXNODSFITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-9-7-20-13(16-9)6-15-5-10-3-11(17-2)14-12(4-10)18-8-19-14/h3-4,7,15H,5-6,8H2,1-2H3.
What are the key properties of 1-(7-methoxy-1,3-benzodioxol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
1-(7-methoxy-1,3-benzodioxol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine has a molecular weight of 292.36 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-1,3-benzodioxol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 47185966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).