5-ethyl-4-methylthiadiazole

C5H8N2S — CID 12679017

IUPAC5-ethyl-4-methylthiadiazole
SMILESCCc1snnc1C
InChIInChI=1S/C5H8N2S/c1-3-5-4(2)6-7-8-5/h3H2,1-2H3
InChIKeyKOHANYZCOWWBAG-UHFFFAOYSA-N
MW128.20 g/mol
LogP1.41
Rot. Bonds1

About 5-ethyl-4-methylthiadiazole

5-ethyl-4-methylthiadiazole (PubChem CID 12679017) has the molecular formula C5H8N2S and a molecular weight of 128.20 g/mol. Its IUPAC name is 5-ethyl-4-methylthiadiazole.

Molecular Properties

Compound Name5-ethyl-4-methylthiadiazole
PubChem CID12679017
Molecular FormulaC5H8N2S
Molecular Weight128.20 g/mol
Exact Mass128.04
IUPAC Name5-ethyl-4-methylthiadiazole
SMILESCCc1snnc1C
InChIInChI=1S/C5H8N2S/c1-3-5-4(2)6-7-8-5/h3H2,1-2H3
InChIKeyKOHANYZCOWWBAG-UHFFFAOYSA-N
XLogP1.41
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-Bromoethyl)-4-methyl-1,2,3-thiadiazole
CID 12679020
4-Tert-butyl-5-methylthiadiazole
CID 12552709
4-Tert-butyl-5-propan-2-ylthiadiazole
CID 12552710
4,5-Ditert-butylthiadiazole
CID 57792113
4-Ethyl-5-(fluoromethyl)thiadiazole
CID 141237802
5-Ethyl-4-(fluoromethyl)thiadiazole
CID 141237842
4-Methyl-5-propylthiadiazole
CID 12913685
4,5,6,7,8,9,10,11,12,13-Decahydrocyclododeca[d]thiadiazole
CID 12565898
4-Ethyl-5-methylthiadiazole
CID 12679016
4-(1-Chloroethyl)-5-methylthiadiazole
CID 12913706
5-(Chloromethyl)-4-ethylthiadiazole
CID 12913707
4-Methyl-5-pentyl-1,2,3-thiadiazole
CID 13427196

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methylthiadiazole?
The IUPAC name of 5-ethyl-4-methylthiadiazole (CID 12679017) is 5-ethyl-4-methylthiadiazole.
What is the SMILES notation for 5-ethyl-4-methylthiadiazole?
The canonical SMILES for 5-ethyl-4-methylthiadiazole is CCc1snnc1C.
What is the InChIKey of 5-ethyl-4-methylthiadiazole?
The InChIKey is KOHANYZCOWWBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S/c1-3-5-4(2)6-7-8-5/h3H2,1-2H3.
What are the key properties of 5-ethyl-4-methylthiadiazole?
5-ethyl-4-methylthiadiazole has a molecular weight of 128.20 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methylthiadiazole is sourced from PubChem (CID 12679017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).