ethane;4-ethylthiadiazole

C6H12N2S — CID 177229927

IUPACethane;4-ethylthiadiazole
SMILESCC.CCc1csnn1
InChIInChI=1S/C4H6N2S.C2H6/c1-2-4-3-7-6-5-4;1-2/h3H,2H2,1H3;1-2H3
InChIKeyUWLYAXFMKXRJGS-UHFFFAOYSA-N
MW144.24 g/mol
LogP2.13
Rot. Bonds1

About ethane;4-ethylthiadiazole

ethane;4-ethylthiadiazole (PubChem CID 177229927) has the molecular formula C6H12N2S and a molecular weight of 144.24 g/mol. Its IUPAC name is ethane;4-ethylthiadiazole.

Molecular Properties

Compound Nameethane;4-ethylthiadiazole
PubChem CID177229927
Molecular FormulaC6H12N2S
Molecular Weight144.24 g/mol
Exact Mass144.07
IUPAC Nameethane;4-ethylthiadiazole
SMILESCC.CCc1csnn1
InChIInChI=1S/C4H6N2S.C2H6/c1-2-4-3-7-6-5-4;1-2/h3H,2H2,1H3;1-2H3
InChIKeyUWLYAXFMKXRJGS-UHFFFAOYSA-N
XLogP2.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-1,2,3-thiadiazole
CID 355841
2-(1,2,3-Thiadiazol-4-yl)acetonitrile
CID 23165058
4-(1-Chloroethyl)-1,2,3-thiadiazole
CID 121552983
4-t-Butyl-1,2,3-thiadiazole
CID 2748877
4-Propylthiadiazole
CID 12679018
4-Isopropyl-[1,2,3]thiadiazole
CID 12522270
Ethyl thiadiazole
CID 13427198
4-(Methylsulfanylmethyl)thiadiazole
CID 85680433
Isobutylthiadiazole
CID 118148363
4-Butylthiadiazole
CID 19903308
4-Thioacetyl-1,2,3-thiadiazole
CID 129743940
4-(2,2,2-Trifluoroethyl)thiadiazole
CID 153817692

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethylthiadiazole?
The IUPAC name of ethane;4-ethylthiadiazole (CID 177229927) is ethane;4-ethylthiadiazole.
What is the SMILES notation for ethane;4-ethylthiadiazole?
The canonical SMILES for ethane;4-ethylthiadiazole is CC.CCc1csnn1.
What is the InChIKey of ethane;4-ethylthiadiazole?
The InChIKey is UWLYAXFMKXRJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2S.C2H6/c1-2-4-3-7-6-5-4;1-2/h3H,2H2,1H3;1-2H3.
What are the key properties of ethane;4-ethylthiadiazole?
ethane;4-ethylthiadiazole has a molecular weight of 144.24 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethylthiadiazole is sourced from PubChem (CID 177229927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).