5-bromo-3-(oxolan-3-yl)-1,2,4-thiadiazole

C6H7BrN2OS — CID 102618161

IUPAC5-bromo-3-(oxolan-3-yl)-1,2,4-thiadiazole
SMILESBrc1nc(C2CCOC2)ns1
InChIInChI=1S/C6H7BrN2OS/c7-6-8-5(9-11-6)4-1-2-10-3-4/h4H,1-3H2
InChIKeyPHUDBCUAXZXWJN-UHFFFAOYSA-N
MW235.11 g/mol
LogP1.80
Rot. Bonds1

About 5-bromo-3-(oxolan-3-yl)-1,2,4-thiadiazole

5-bromo-3-(oxolan-3-yl)-1,2,4-thiadiazole (PubChem CID 102618161) has the molecular formula C6H7BrN2OS and a molecular weight of 235.11 g/mol. Its IUPAC name is 5-bromo-3-(oxolan-3-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-bromo-3-(oxolan-3-yl)-1,2,4-thiadiazole
PubChem CID102618161
Molecular FormulaC6H7BrN2OS
Molecular Weight235.11 g/mol
Exact Mass233.95
IUPAC Name5-bromo-3-(oxolan-3-yl)-1,2,4-thiadiazole
SMILESBrc1nc(C2CCOC2)ns1
InChIInChI=1S/C6H7BrN2OS/c7-6-8-5(9-11-6)4-1-2-10-3-4/h4H,1-3H2
InChIKeyPHUDBCUAXZXWJN-UHFFFAOYSA-N
XLogP1.80
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Chloro-3-(oxolan-3-yl)-1,2,4-thiadiazole
CID 65329082
3-(Oxolan-3-yl)-5-propan-2-yl-1,2,4-thiadiazole
CID 155227232
3-(Oxolan-3-yl)-1,2,4-thiadiazol-5-amine
CID 62313084
5-Bromo-3-(2-methoxyethyl)-1,2,4-thiadiazole
CID 102617953
5-Bromo-3-tetrahydropyran-4-yl-1,2,4-thiadiazole
CID 102618072
5-Bromo-3-(oxolan-3-ylmethyl)-1,2,4-thiadiazole
CID 102618075
5-Bromo-3-(3-methoxypropyl)-1,2,4-thiadiazole
CID 102618154
5-Iodo-3-(oxolan-3-yl)-1,2,4-thiadiazole
CID 102618612
5-Bromo-3-(2-ethoxyethyl)-1,2,4-thiadiazole
CID 106815809
3-Bromo-5-(oxolan-3-yl)-1,2,4-thiadiazole
CID 121601578
3-Iodo-5-(oxolan-3-yl)-1,2,4-thiadiazole
CID 121601616
3-Chloro-5-(oxolan-3-yl)-1,2,4-thiadiazole
CID 121601653

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(oxolan-3-yl)-1,2,4-thiadiazole?
The IUPAC name of 5-bromo-3-(oxolan-3-yl)-1,2,4-thiadiazole (CID 102618161) is 5-bromo-3-(oxolan-3-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-bromo-3-(oxolan-3-yl)-1,2,4-thiadiazole?
The canonical SMILES for 5-bromo-3-(oxolan-3-yl)-1,2,4-thiadiazole is Brc1nc(C2CCOC2)ns1.
What is the InChIKey of 5-bromo-3-(oxolan-3-yl)-1,2,4-thiadiazole?
The InChIKey is PHUDBCUAXZXWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2OS/c7-6-8-5(9-11-6)4-1-2-10-3-4/h4H,1-3H2.
What are the key properties of 5-bromo-3-(oxolan-3-yl)-1,2,4-thiadiazole?
5-bromo-3-(oxolan-3-yl)-1,2,4-thiadiazole has a molecular weight of 235.11 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(oxolan-3-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 102618161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).