ethane;5-ethyl-2,1,3-benzothiadiazole

C12H20N2S — CID 143588455

IUPACethane;5-ethyl-2,1,3-benzothiadiazole
SMILESCC.CC.CCc1ccc2nsnc2c1
InChIInChI=1S/C8H8N2S.2C2H6/c1-2-6-3-4-7-8(5-6)10-11-9-7;2*1-2/h3-5H,2H2,1H3;2*1-2H3
InChIKeyAOPSUGDHWARJPG-UHFFFAOYSA-N
MW224.37 g/mol
LogP4.31
Rot. Bonds1

About ethane;5-ethyl-2,1,3-benzothiadiazole

ethane;5-ethyl-2,1,3-benzothiadiazole (PubChem CID 143588455) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is ethane;5-ethyl-2,1,3-benzothiadiazole.

Molecular Properties

Compound Nameethane;5-ethyl-2,1,3-benzothiadiazole
PubChem CID143588455
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Nameethane;5-ethyl-2,1,3-benzothiadiazole
SMILESCC.CC.CCc1ccc2nsnc2c1
InChIInChI=1S/C8H8N2S.2C2H6/c1-2-6-3-4-7-8(5-6)10-11-9-7;2*1-2/h3-5H,2H2,1H3;2*1-2H3
InChIKeyAOPSUGDHWARJPG-UHFFFAOYSA-N
XLogP4.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,1,3-benzothiadiazol-5-ylmethanamine;hydrate;hydrochloride
CID 18526449
(2S)-2-N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-N,1-N-diethylpropane-1,2-diamine
CID 95189212
ethyl 1-(2,1,3-benzothiadiazol-5-ylmethyl)pyridin-1-ium-4-carboxylate bromide
CID 21233430
N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-1-thiophen-3-ylpropan-2-amine
CID 166314412
2,1,3-benzothiadiazol-5-ylmethanamine;1,1,1,4,4,4-hexafluorobutane-2,3-dione
CID 158283762
1,4-diethylbenzene;ethane
CID 91207141
1-(2,1,3-benzothiadiazol-5-ylmethyl)-1-methyl-3-(1-propylcyclopropyl)urea
CID 122568541
2-(2,1,3-benzothiadiazol-5-ylmethyl)-5-methylpyridazin-3-one
CID 166320399
(2S)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-ethoxy-N-methylpropanamide
CID 126423596
N-(2,1,3-benzothiadiazol-5-ylmethyl)-2,2,2-trifluoroacetamide
CID 59379604
3,6-diethylquinoline
CID 82111628
2-tert-butyl-6-ethyl-1,3-benzothiazole;ethane
CID 142320574

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-2,1,3-benzothiadiazole?
The IUPAC name of ethane;5-ethyl-2,1,3-benzothiadiazole (CID 143588455) is ethane;5-ethyl-2,1,3-benzothiadiazole.
What is the SMILES notation for ethane;5-ethyl-2,1,3-benzothiadiazole?
The canonical SMILES for ethane;5-ethyl-2,1,3-benzothiadiazole is CC.CC.CCc1ccc2nsnc2c1.
What is the InChIKey of ethane;5-ethyl-2,1,3-benzothiadiazole?
The InChIKey is AOPSUGDHWARJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S.2C2H6/c1-2-6-3-4-7-8(5-6)10-11-9-7;2*1-2/h3-5H,2H2,1H3;2*1-2H3.
What are the key properties of ethane;5-ethyl-2,1,3-benzothiadiazole?
ethane;5-ethyl-2,1,3-benzothiadiazole has a molecular weight of 224.37 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-2,1,3-benzothiadiazole is sourced from PubChem (CID 143588455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).