4-(furan-2-yl)thiadiazole

C6H4N2OS — CID 50905838

IUPAC4-(furan-2-yl)thiadiazole
SMILESc1coc(-c2csnn2)c1
InChIInChI=1S/C6H4N2OS/c1-2-6(9-3-1)5-4-10-8-7-5/h1-4H
InChIKeyQUONRIWHYHDZKE-UHFFFAOYSA-N
MW152.18 g/mol
LogP1.80
Rot. Bonds1

About 4-(furan-2-yl)thiadiazole

4-(furan-2-yl)thiadiazole (PubChem CID 50905838) has the molecular formula C6H4N2OS and a molecular weight of 152.18 g/mol. Its IUPAC name is 4-(furan-2-yl)thiadiazole.

Molecular Properties

Compound Name4-(furan-2-yl)thiadiazole
PubChem CID50905838
Molecular FormulaC6H4N2OS
Molecular Weight152.18 g/mol
Exact Mass152.00
IUPAC Name4-(furan-2-yl)thiadiazole
SMILESc1coc(-c2csnn2)c1
InChIInChI=1S/C6H4N2OS/c1-2-6(9-3-1)5-4-10-8-7-5/h1-4H
InChIKeyQUONRIWHYHDZKE-UHFFFAOYSA-N
XLogP1.80
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.18
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)thiadiazole?
The IUPAC name of 4-(furan-2-yl)thiadiazole (CID 50905838) is 4-(furan-2-yl)thiadiazole.
What is the SMILES notation for 4-(furan-2-yl)thiadiazole?
The canonical SMILES for 4-(furan-2-yl)thiadiazole is c1coc(-c2csnn2)c1.
What is the InChIKey of 4-(furan-2-yl)thiadiazole?
The InChIKey is QUONRIWHYHDZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2OS/c1-2-6(9-3-1)5-4-10-8-7-5/h1-4H.
What are the key properties of 4-(furan-2-yl)thiadiazole?
4-(furan-2-yl)thiadiazole has a molecular weight of 152.18 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)thiadiazole is sourced from PubChem (CID 50905838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).