N-[2,3-dihydro-1,4-benzodioxin-6-yl-(4-ethylthiadiazol-5-yl)methyl]ethanamine

C15H19N3O2S — CID 105141158

IUPACN-[2,3-dihydro-1,4-benzodioxin-6-yl-(4-ethylthiadiazol-5-yl)methyl]ethanamine
SMILESCCNC(c1ccc2c(c1)OCCO2)c1snnc1CC
InChIInChI=1S/C15H19N3O2S/c1-3-11-15(21-18-17-11)14(16-4-2)10-5-6-12-13(9-10)20-8-7-19-12/h5-6,9,14,16H,3-4,7-8H2,1-2H3
InChIKeyWFPAWHDRDCUOQT-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.57
Rot. Bonds5

About N-[2,3-dihydro-1,4-benzodioxin-6-yl-(4-ethylthiadiazol-5-yl)methyl]ethanamine

N-[2,3-dihydro-1,4-benzodioxin-6-yl-(4-ethylthiadiazol-5-yl)methyl]ethanamine (PubChem CID 105141158) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[2,3-dihydro-1,4-benzodioxin-6-yl-(4-ethylthiadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[2,3-dihydro-1,4-benzodioxin-6-yl-(4-ethylthiadiazol-5-yl)methyl]ethanamine
PubChem CID105141158
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-[2,3-dihydro-1,4-benzodioxin-6-yl-(4-ethylthiadiazol-5-yl)methyl]ethanamine
SMILESCCNC(c1ccc2c(c1)OCCO2)c1snnc1CC
InChIInChI=1S/C15H19N3O2S/c1-3-11-15(21-18-17-11)14(16-4-2)10-5-6-12-13(9-10)20-8-7-19-12/h5-6,9,14,16H,3-4,7-8H2,1-2H3
InChIKeyWFPAWHDRDCUOQT-UHFFFAOYSA-N
XLogP2.57
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-(4-ethylthiadiazol-5-yl)methanamine
CID 105141062
N-[2,3-dihydro-1,4-benzodioxin-6-yl(thiadiazol-5-yl)methyl]ethanamine
CID 105141112
N-[2,3-dihydro-1,4-benzodioxin-6-yl(pyrimidin-5-yl)methyl]ethanamine
CID 115827350
N-[(4-ethylphenyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 105121449
N-[(4-ethylthiadiazol-5-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 105146355
N-[2,3-dihydro-1,4-benzodioxin-6-yl-(5-ethylfuran-2-yl)methyl]ethanamine
CID 62346595
N-[(4-ethylthiadiazol-5-yl)-quinolin-7-ylmethyl]ethanamine
CID 105172687
N-[2,3-dihydro-1,4-benzodioxin-6-yl(pyridin-2-yl)methyl]ethanamine
CID 62789488
N-[2,3-dihydro-1,4-benzodioxin-6-yl(pyridin-3-yl)methyl]ethanamine
CID 43490467
N-[(4-bromothiophen-3-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]ethanamine
CID 105010722
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylpropan-1-amine
CID 43490454

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1,4-benzodioxin-6-yl-(4-ethylthiadiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[2,3-dihydro-1,4-benzodioxin-6-yl-(4-ethylthiadiazol-5-yl)methyl]ethanamine (CID 105141158) is N-[2,3-dihydro-1,4-benzodioxin-6-yl-(4-ethylthiadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[2,3-dihydro-1,4-benzodioxin-6-yl-(4-ethylthiadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[2,3-dihydro-1,4-benzodioxin-6-yl-(4-ethylthiadiazol-5-yl)methyl]ethanamine is CCNC(c1ccc2c(c1)OCCO2)c1snnc1CC.
What is the InChIKey of N-[2,3-dihydro-1,4-benzodioxin-6-yl-(4-ethylthiadiazol-5-yl)methyl]ethanamine?
The InChIKey is WFPAWHDRDCUOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-11-15(21-18-17-11)14(16-4-2)10-5-6-12-13(9-10)20-8-7-19-12/h5-6,9,14,16H,3-4,7-8H2,1-2H3.
What are the key properties of N-[2,3-dihydro-1,4-benzodioxin-6-yl-(4-ethylthiadiazol-5-yl)methyl]ethanamine?
N-[2,3-dihydro-1,4-benzodioxin-6-yl-(4-ethylthiadiazol-5-yl)methyl]ethanamine has a molecular weight of 305.40 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydro-1,4-benzodioxin-6-yl-(4-ethylthiadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 105141158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).