2-ethyl-5-(thiadiazol-4-yl)-1,3,4-oxadiazole

C6H6N4OS — CID 130634291

IUPAC2-ethyl-5-(thiadiazol-4-yl)-1,3,4-oxadiazole
SMILESCCc1nnc(-c2csnn2)o1
InChIInChI=1S/C6H6N4OS/c1-2-5-8-9-6(11-5)4-3-12-10-7-4/h3H,2H2,1H3
InChIKeyHBROTLQSWXKSNV-UHFFFAOYSA-N
MW182.21 g/mol
LogP1.15
Rot. Bonds2

About 2-ethyl-5-(thiadiazol-4-yl)-1,3,4-oxadiazole

2-ethyl-5-(thiadiazol-4-yl)-1,3,4-oxadiazole (PubChem CID 130634291) has the molecular formula C6H6N4OS and a molecular weight of 182.21 g/mol. Its IUPAC name is 2-ethyl-5-(thiadiazol-4-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethyl-5-(thiadiazol-4-yl)-1,3,4-oxadiazole
PubChem CID130634291
Molecular FormulaC6H6N4OS
Molecular Weight182.21 g/mol
Exact Mass182.03
IUPAC Name2-ethyl-5-(thiadiazol-4-yl)-1,3,4-oxadiazole
SMILESCCc1nnc(-c2csnn2)o1
InChIInChI=1S/C6H6N4OS/c1-2-5-8-9-6(11-5)4-3-12-10-7-4/h3H,2H2,1H3
InChIKeyHBROTLQSWXKSNV-UHFFFAOYSA-N
XLogP1.15
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(thiadiazol-4-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-ethyl-5-(thiadiazol-4-yl)-1,3,4-oxadiazole (CID 130634291) is 2-ethyl-5-(thiadiazol-4-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethyl-5-(thiadiazol-4-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-ethyl-5-(thiadiazol-4-yl)-1,3,4-oxadiazole is CCc1nnc(-c2csnn2)o1.
What is the InChIKey of 2-ethyl-5-(thiadiazol-4-yl)-1,3,4-oxadiazole?
The InChIKey is HBROTLQSWXKSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4OS/c1-2-5-8-9-6(11-5)4-3-12-10-7-4/h3H,2H2,1H3.
What are the key properties of 2-ethyl-5-(thiadiazol-4-yl)-1,3,4-oxadiazole?
2-ethyl-5-(thiadiazol-4-yl)-1,3,4-oxadiazole has a molecular weight of 182.21 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(thiadiazol-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 130634291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).