2,3-dihydro-1,4-benzodioxin-6-yl-(4-ethylthiadiazol-5-yl)methanamine

C13H15N3O2S — CID 105141062

IUPAC2,3-dihydro-1,4-benzodioxin-6-yl-(4-ethylthiadiazol-5-yl)methanamine
SMILESCCc1nnsc1C(N)c1ccc2c(c1)OCCO2
InChIInChI=1S/C13H15N3O2S/c1-2-9-13(19-16-15-9)12(14)8-3-4-10-11(7-8)18-6-5-17-10/h3-4,7,12H,2,5-6,14H2,1H3
InChIKeyLFTMIJQEDOHNBR-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.92
Rot. Bonds3

About 2,3-dihydro-1,4-benzodioxin-6-yl-(4-ethylthiadiazol-5-yl)methanamine

2,3-dihydro-1,4-benzodioxin-6-yl-(4-ethylthiadiazol-5-yl)methanamine (PubChem CID 105141062) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-6-yl-(4-ethylthiadiazol-5-yl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-6-yl-(4-ethylthiadiazol-5-yl)methanamine
PubChem CID105141062
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2,3-dihydro-1,4-benzodioxin-6-yl-(4-ethylthiadiazol-5-yl)methanamine
SMILESCCc1nnsc1C(N)c1ccc2c(c1)OCCO2
InChIInChI=1S/C13H15N3O2S/c1-2-9-13(19-16-15-9)12(14)8-3-4-10-11(7-8)18-6-5-17-10/h3-4,7,12H,2,5-6,14H2,1H3
InChIKeyLFTMIJQEDOHNBR-UHFFFAOYSA-N
XLogP1.92
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,3-dihydro-1,4-benzodioxin-6-yl-(4-ethylthiadiazol-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

N-[2,3-dihydro-1,4-benzodioxin-6-yl-(4-ethylthiadiazol-5-yl)methyl]ethanamine
CID 105141158
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105143327
2,3-dihydro-1,4-benzodioxin-6-yl-(3-ethyl-2-pyridinyl)methanamine
CID 82730296
2,3-dihydro-1,4-benzodioxin-6-yl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 43119103
2,3-dihydro-1,4-benzodioxin-6-yl-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 105092350
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3-ethyl-1-methylpyrazol-4-yl)methanamine
CID 102812303
2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylsulfanylphenyl)methanamine
CID 79215374
2,3-dihydro-1,4-benzodioxin-6-yl-(6-methyl-2-pyridinyl)methanamine
CID 55221576
(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine;hydrochloride
CID 171226605
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethylthiadiazole-5-carboxamide
CID 46521837
(1S,2R)-1-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylpentan-2-ol;hydrochloride
CID 171268724
2,3-dihydro-1,4-benzodioxin-6-yl-(3-ethyl-6-methylpyridazin-4-yl)methanol
CID 105092346

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-(4-ethylthiadiazol-5-yl)methanamine?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-(4-ethylthiadiazol-5-yl)methanamine (CID 105141062) is 2,3-dihydro-1,4-benzodioxin-6-yl-(4-ethylthiadiazol-5-yl)methanamine.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-6-yl-(4-ethylthiadiazol-5-yl)methanamine?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-6-yl-(4-ethylthiadiazol-5-yl)methanamine is CCc1nnsc1C(N)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-6-yl-(4-ethylthiadiazol-5-yl)methanamine?
The InChIKey is LFTMIJQEDOHNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-2-9-13(19-16-15-9)12(14)8-3-4-10-11(7-8)18-6-5-17-10/h3-4,7,12H,2,5-6,14H2,1H3.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-6-yl-(4-ethylthiadiazol-5-yl)methanamine?
2,3-dihydro-1,4-benzodioxin-6-yl-(4-ethylthiadiazol-5-yl)methanamine has a molecular weight of 277.35 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-6-yl-(4-ethylthiadiazol-5-yl)methanamine is sourced from PubChem (CID 105141062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).