4-thiophen-2-ylthiadiazole

C6H4N2S2 — CID 1471813

IUPAC4-thiophen-2-ylthiadiazole
SMILESc1csc(-c2csnn2)c1
InChIInChI=1S/C6H4N2S2/c1-2-6(9-3-1)5-4-10-8-7-5/h1-4H
InChIKeyIRKZMGOXQOITOZ-UHFFFAOYSA-N
MW168.25 g/mol
LogP2.27
Rot. Bonds1

About 4-thiophen-2-ylthiadiazole

4-thiophen-2-ylthiadiazole (PubChem CID 1471813) has the molecular formula C6H4N2S2 and a molecular weight of 168.25 g/mol. Its IUPAC name is 4-thiophen-2-ylthiadiazole.

Molecular Properties

Compound Name4-thiophen-2-ylthiadiazole
PubChem CID1471813
Molecular FormulaC6H4N2S2
Molecular Weight168.25 g/mol
Exact Mass167.98
IUPAC Name4-thiophen-2-ylthiadiazole
SMILESc1csc(-c2csnn2)c1
InChIInChI=1S/C6H4N2S2/c1-2-6(9-3-1)5-4-10-8-7-5/h1-4H
InChIKeyIRKZMGOXQOITOZ-UHFFFAOYSA-N
XLogP2.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.25
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-ylthiadiazole?
The IUPAC name of 4-thiophen-2-ylthiadiazole (CID 1471813) is 4-thiophen-2-ylthiadiazole.
What is the SMILES notation for 4-thiophen-2-ylthiadiazole?
The canonical SMILES for 4-thiophen-2-ylthiadiazole is c1csc(-c2csnn2)c1.
What is the InChIKey of 4-thiophen-2-ylthiadiazole?
The InChIKey is IRKZMGOXQOITOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2S2/c1-2-6(9-3-1)5-4-10-8-7-5/h1-4H.
What are the key properties of 4-thiophen-2-ylthiadiazole?
4-thiophen-2-ylthiadiazole has a molecular weight of 168.25 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-ylthiadiazole is sourced from PubChem (CID 1471813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).