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

C7H9ClN2OS — CID 65333995

IUPAC5-chloro-3-(oxan-3-yl)-1,2,4-thiadiazole
SMILESClc1nc(C2CCCOC2)ns1
InChIInChI=1S/C7H9ClN2OS/c8-7-9-6(10-12-7)5-2-1-3-11-4-5/h5H,1-4H2
InChIKeyCOCUHTIHJQONOB-UHFFFAOYSA-N
MW204.68 g/mol
LogP2.09
Rot. Bonds1

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

5-chloro-3-(oxan-3-yl)-1,2,4-thiadiazole (PubChem CID 65333995) has the molecular formula C7H9ClN2OS and a molecular weight of 204.68 g/mol. Its IUPAC name is 5-chloro-3-(oxan-3-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-chloro-3-(oxan-3-yl)-1,2,4-thiadiazole
PubChem CID65333995
Molecular FormulaC7H9ClN2OS
Molecular Weight204.68 g/mol
Exact Mass204.01
IUPAC Name5-chloro-3-(oxan-3-yl)-1,2,4-thiadiazole
SMILESClc1nc(C2CCCOC2)ns1
InChIInChI=1S/C7H9ClN2OS/c8-7-9-6(10-12-7)5-2-1-3-11-4-5/h5H,1-4H2
InChIKeyCOCUHTIHJQONOB-UHFFFAOYSA-N
XLogP2.09
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.68
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(oxan-3-yl)-1,2,4-thiadiazole?
The IUPAC name of 5-chloro-3-(oxan-3-yl)-1,2,4-thiadiazole (CID 65333995) is 5-chloro-3-(oxan-3-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-chloro-3-(oxan-3-yl)-1,2,4-thiadiazole?
The canonical SMILES for 5-chloro-3-(oxan-3-yl)-1,2,4-thiadiazole is Clc1nc(C2CCCOC2)ns1.
What is the InChIKey of 5-chloro-3-(oxan-3-yl)-1,2,4-thiadiazole?
The InChIKey is COCUHTIHJQONOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2OS/c8-7-9-6(10-12-7)5-2-1-3-11-4-5/h5H,1-4H2.
What are the key properties of 5-chloro-3-(oxan-3-yl)-1,2,4-thiadiazole?
5-chloro-3-(oxan-3-yl)-1,2,4-thiadiazole has a molecular weight of 204.68 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(oxan-3-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 65333995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).