2-ethyl-5-thiophen-2-yl-1,3,4-thiadiazole

C8H8N2S2 — CID 101460114

IUPAC2-ethyl-5-thiophen-2-yl-1,3,4-thiadiazole
SMILESCCc1nnc(-c2cccs2)s1
InChIInChI=1S/C8H8N2S2/c1-2-7-9-10-8(12-7)6-4-3-5-11-6/h3-5H,2H2,1H3
InChIKeyBOIJVFRJSUBXMT-UHFFFAOYSA-N
MW196.30 g/mol
LogP2.83
Rot. Bonds2

About 2-ethyl-5-thiophen-2-yl-1,3,4-thiadiazole

2-ethyl-5-thiophen-2-yl-1,3,4-thiadiazole (PubChem CID 101460114) has the molecular formula C8H8N2S2 and a molecular weight of 196.30 g/mol. Its IUPAC name is 2-ethyl-5-thiophen-2-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-ethyl-5-thiophen-2-yl-1,3,4-thiadiazole
PubChem CID101460114
Molecular FormulaC8H8N2S2
Molecular Weight196.30 g/mol
Exact Mass196.01
IUPAC Name2-ethyl-5-thiophen-2-yl-1,3,4-thiadiazole
SMILESCCc1nnc(-c2cccs2)s1
InChIInChI=1S/C8H8N2S2/c1-2-7-9-10-8(12-7)6-4-3-5-11-6/h3-5H,2H2,1H3
InChIKeyBOIJVFRJSUBXMT-UHFFFAOYSA-N
XLogP2.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Thiophen-2-yl)-1,3,4-thiadiazol-2-amine
CID 644639
1,3,4-Thiadiazole, 2-amino-5-(2-thienyl)-, hydrochloride, hydrate
CID 11971459
2-(5-Thiophen-2-yl-1,3,4-thiadiazol-2-yl)guanidine;hydrochloride
CID 45263064
2,5-Di(2-thienyl)-1,3,4-thiadiazole
CID 2750959
2,5-Bis(thiophen-2-yl)-1,3,4-selenadiazole
CID 21856252
2-(Difluoromethylsulfanyl)-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole
CID 17802268
2-Difluoromethylthio-5-thienyl-1,3,4-thiadiazole
CID 20025621
2-(Difluoromethylsulfanyl)-5-(4-methylthiophen-2-yl)-1,3,4-thiadiazole
CID 20025625
2-Thiophen-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 66646630
2-(5-Thiophen-2-ylthiophen-2-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 66646937
2-Propyl-5-thiophen-2-yl-1,3,4-thiadiazole
CID 130650382
2-(5-Thiophen-2-yl-1,3,4-thiadiazol-2-yl)guanidine
CID 14140373

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-thiophen-2-yl-1,3,4-thiadiazole?
The IUPAC name of 2-ethyl-5-thiophen-2-yl-1,3,4-thiadiazole (CID 101460114) is 2-ethyl-5-thiophen-2-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-ethyl-5-thiophen-2-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-ethyl-5-thiophen-2-yl-1,3,4-thiadiazole is CCc1nnc(-c2cccs2)s1.
What is the InChIKey of 2-ethyl-5-thiophen-2-yl-1,3,4-thiadiazole?
The InChIKey is BOIJVFRJSUBXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S2/c1-2-7-9-10-8(12-7)6-4-3-5-11-6/h3-5H,2H2,1H3.
What are the key properties of 2-ethyl-5-thiophen-2-yl-1,3,4-thiadiazole?
2-ethyl-5-thiophen-2-yl-1,3,4-thiadiazole has a molecular weight of 196.30 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-thiophen-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 101460114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).