3-chloro-5-(2-chlorofuran-3-yl)-1,2,4-thiadiazole

C6H2Cl2N2OS — CID 106694860

IUPAC3-chloro-5-(2-chlorofuran-3-yl)-1,2,4-thiadiazole
SMILESClc1nsc(-c2ccoc2Cl)n1
InChIInChI=1S/C6H2Cl2N2OS/c7-4-3(1-2-11-4)5-9-6(8)10-12-5/h1-2H
InChIKeyLQMHGFZRHPIXOB-UHFFFAOYSA-N
MW221.07 g/mol
LogP3.10
Rot. Bonds1

About 3-chloro-5-(2-chlorofuran-3-yl)-1,2,4-thiadiazole

3-chloro-5-(2-chlorofuran-3-yl)-1,2,4-thiadiazole (PubChem CID 106694860) has the molecular formula C6H2Cl2N2OS and a molecular weight of 221.07 g/mol. Its IUPAC name is 3-chloro-5-(2-chlorofuran-3-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-chloro-5-(2-chlorofuran-3-yl)-1,2,4-thiadiazole
PubChem CID106694860
Molecular FormulaC6H2Cl2N2OS
Molecular Weight221.07 g/mol
Exact Mass219.93
IUPAC Name3-chloro-5-(2-chlorofuran-3-yl)-1,2,4-thiadiazole
SMILESClc1nsc(-c2ccoc2Cl)n1
InChIInChI=1S/C6H2Cl2N2OS/c7-4-3(1-2-11-4)5-9-6(8)10-12-5/h1-2H
InChIKeyLQMHGFZRHPIXOB-UHFFFAOYSA-N
XLogP3.10
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.07
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2-chlorofuran-3-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-chloro-5-(2-chlorofuran-3-yl)-1,2,4-thiadiazole (CID 106694860) is 3-chloro-5-(2-chlorofuran-3-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-chloro-5-(2-chlorofuran-3-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-chloro-5-(2-chlorofuran-3-yl)-1,2,4-thiadiazole is Clc1nsc(-c2ccoc2Cl)n1.
What is the InChIKey of 3-chloro-5-(2-chlorofuran-3-yl)-1,2,4-thiadiazole?
The InChIKey is LQMHGFZRHPIXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2N2OS/c7-4-3(1-2-11-4)5-9-6(8)10-12-5/h1-2H.
What are the key properties of 3-chloro-5-(2-chlorofuran-3-yl)-1,2,4-thiadiazole?
3-chloro-5-(2-chlorofuran-3-yl)-1,2,4-thiadiazole has a molecular weight of 221.07 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2-chlorofuran-3-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 106694860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).