4-(furan-2-yl)-2,3-dihydro-1,2,5-thiadiazole 1,1-dioxide

C6H6N2O3S — CID 142711092

IUPAC4-(furan-2-yl)-2,3-dihydro-1,2,5-thiadiazole 1,1-dioxide
SMILESO=S1(=O)N=C(c2ccco2)CN1
InChIInChI=1S/C6H6N2O3S/c9-12(10)7-4-5(8-12)6-2-1-3-11-6/h1-3,7H,4H2
InChIKeyXWDXHULXAMJKGB-UHFFFAOYSA-N
MW186.19 g/mol
LogP-0.08
Rot. Bonds1

About 4-(furan-2-yl)-2,3-dihydro-1,2,5-thiadiazole 1,1-dioxide

4-(furan-2-yl)-2,3-dihydro-1,2,5-thiadiazole 1,1-dioxide (PubChem CID 142711092) has the molecular formula C6H6N2O3S and a molecular weight of 186.19 g/mol. Its IUPAC name is 4-(furan-2-yl)-2,3-dihydro-1,2,5-thiadiazole 1,1-dioxide.

Molecular Properties

Compound Name4-(furan-2-yl)-2,3-dihydro-1,2,5-thiadiazole 1,1-dioxide
PubChem CID142711092
Molecular FormulaC6H6N2O3S
Molecular Weight186.19 g/mol
Exact Mass186.01
IUPAC Name4-(furan-2-yl)-2,3-dihydro-1,2,5-thiadiazole 1,1-dioxide
SMILESO=S1(=O)N=C(c2ccco2)CN1
InChIInChI=1S/C6H6N2O3S/c9-12(10)7-4-5(8-12)6-2-1-3-11-6/h1-3,7H,4H2
InChIKeyXWDXHULXAMJKGB-UHFFFAOYSA-N
XLogP-0.08
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2,3-dihydro-1,2,5-thiadiazole 1,1-dioxide?
The IUPAC name of 4-(furan-2-yl)-2,3-dihydro-1,2,5-thiadiazole 1,1-dioxide (CID 142711092) is 4-(furan-2-yl)-2,3-dihydro-1,2,5-thiadiazole 1,1-dioxide.
What is the SMILES notation for 4-(furan-2-yl)-2,3-dihydro-1,2,5-thiadiazole 1,1-dioxide?
The canonical SMILES for 4-(furan-2-yl)-2,3-dihydro-1,2,5-thiadiazole 1,1-dioxide is O=S1(=O)N=C(c2ccco2)CN1.
What is the InChIKey of 4-(furan-2-yl)-2,3-dihydro-1,2,5-thiadiazole 1,1-dioxide?
The InChIKey is XWDXHULXAMJKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3S/c9-12(10)7-4-5(8-12)6-2-1-3-11-6/h1-3,7H,4H2.
What are the key properties of 4-(furan-2-yl)-2,3-dihydro-1,2,5-thiadiazole 1,1-dioxide?
4-(furan-2-yl)-2,3-dihydro-1,2,5-thiadiazole 1,1-dioxide has a molecular weight of 186.19 g/mol, XLogP of -0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-2,3-dihydro-1,2,5-thiadiazole 1,1-dioxide is sourced from PubChem (CID 142711092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).