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

C6H3ClN2OS — CID 54258007

IUPAC5-chloro-3-(furan-2-yl)-1,2,4-thiadiazole
SMILESClc1nc(-c2ccco2)ns1
InChIInChI=1S/C6H3ClN2OS/c7-6-8-5(9-11-6)4-2-1-3-10-4/h1-3H
InChIKeyRBKUKEVXODXZKX-UHFFFAOYSA-N
MW186.62 g/mol
LogP2.45
Rot. Bonds1

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

5-chloro-3-(furan-2-yl)-1,2,4-thiadiazole (PubChem CID 54258007) has the molecular formula C6H3ClN2OS and a molecular weight of 186.62 g/mol. Its IUPAC name is 5-chloro-3-(furan-2-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-chloro-3-(furan-2-yl)-1,2,4-thiadiazole
PubChem CID54258007
Molecular FormulaC6H3ClN2OS
Molecular Weight186.62 g/mol
Exact Mass185.97
IUPAC Name5-chloro-3-(furan-2-yl)-1,2,4-thiadiazole
SMILESClc1nc(-c2ccco2)ns1
InChIInChI=1S/C6H3ClN2OS/c7-6-8-5(9-11-6)4-2-1-3-10-4/h1-3H
InChIKeyRBKUKEVXODXZKX-UHFFFAOYSA-N
XLogP2.45
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.62
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(furan-2-yl)-1,2,4-thiadiazole?
The IUPAC name of 5-chloro-3-(furan-2-yl)-1,2,4-thiadiazole (CID 54258007) is 5-chloro-3-(furan-2-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-chloro-3-(furan-2-yl)-1,2,4-thiadiazole?
The canonical SMILES for 5-chloro-3-(furan-2-yl)-1,2,4-thiadiazole is Clc1nc(-c2ccco2)ns1.
What is the InChIKey of 5-chloro-3-(furan-2-yl)-1,2,4-thiadiazole?
The InChIKey is RBKUKEVXODXZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN2OS/c7-6-8-5(9-11-6)4-2-1-3-10-4/h1-3H.
What are the key properties of 5-chloro-3-(furan-2-yl)-1,2,4-thiadiazole?
5-chloro-3-(furan-2-yl)-1,2,4-thiadiazole has a molecular weight of 186.62 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(furan-2-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 54258007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).