5-chloro-3-(oxolan-2-ylmethyl)-1,2,4-thiadiazole

C7H9ClN2OS — CID 65266739

IUPAC5-chloro-3-(oxolan-2-ylmethyl)-1,2,4-thiadiazole
SMILESClc1nc(CC2CCCO2)ns1
InChIInChI=1S/C7H9ClN2OS/c8-7-9-6(10-12-7)4-5-2-1-3-11-5/h5H,1-4H2
InChIKeyJXHCYOGVOFLISU-UHFFFAOYSA-N
MW204.68 g/mol
LogP1.91
Rot. Bonds2

About 5-chloro-3-(oxolan-2-ylmethyl)-1,2,4-thiadiazole

5-chloro-3-(oxolan-2-ylmethyl)-1,2,4-thiadiazole (PubChem CID 65266739) has the molecular formula C7H9ClN2OS and a molecular weight of 204.68 g/mol. Its IUPAC name is 5-chloro-3-(oxolan-2-ylmethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-chloro-3-(oxolan-2-ylmethyl)-1,2,4-thiadiazole
PubChem CID65266739
Molecular FormulaC7H9ClN2OS
Molecular Weight204.68 g/mol
Exact Mass204.01
IUPAC Name5-chloro-3-(oxolan-2-ylmethyl)-1,2,4-thiadiazole
SMILESClc1nc(CC2CCCO2)ns1
InChIInChI=1S/C7H9ClN2OS/c8-7-9-6(10-12-7)4-5-2-1-3-11-5/h5H,1-4H2
InChIKeyJXHCYOGVOFLISU-UHFFFAOYSA-N
XLogP1.91
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.68
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(oxolan-2-ylmethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-chloro-3-(oxolan-2-ylmethyl)-1,2,4-thiadiazole (CID 65266739) is 5-chloro-3-(oxolan-2-ylmethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-chloro-3-(oxolan-2-ylmethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-chloro-3-(oxolan-2-ylmethyl)-1,2,4-thiadiazole is Clc1nc(CC2CCCO2)ns1.
What is the InChIKey of 5-chloro-3-(oxolan-2-ylmethyl)-1,2,4-thiadiazole?
The InChIKey is JXHCYOGVOFLISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2OS/c8-7-9-6(10-12-7)4-5-2-1-3-11-5/h5H,1-4H2.
What are the key properties of 5-chloro-3-(oxolan-2-ylmethyl)-1,2,4-thiadiazole?
5-chloro-3-(oxolan-2-ylmethyl)-1,2,4-thiadiazole has a molecular weight of 204.68 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(oxolan-2-ylmethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 65266739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).