4-(3-bromo-1,2,4-thiadiazol-5-yl)morpholine

C6H8BrN3OS — CID 66634232

IUPAC4-(3-bromo-1,2,4-thiadiazol-5-yl)morpholine
SMILESBrc1nsc(N2CCOCC2)n1
InChIInChI=1S/C6H8BrN3OS/c7-5-8-6(12-9-5)10-1-3-11-4-2-10/h1-4H2
InChIKeyBKSVIIGQFAVPDP-UHFFFAOYSA-N
MW250.12 g/mol
LogP1.14
Rot. Bonds1

About 4-(3-bromo-1,2,4-thiadiazol-5-yl)morpholine

4-(3-bromo-1,2,4-thiadiazol-5-yl)morpholine (PubChem CID 66634232) has the molecular formula C6H8BrN3OS and a molecular weight of 250.12 g/mol. Its IUPAC name is 4-(3-bromo-1,2,4-thiadiazol-5-yl)morpholine.

Molecular Properties

Compound Name4-(3-bromo-1,2,4-thiadiazol-5-yl)morpholine
PubChem CID66634232
Molecular FormulaC6H8BrN3OS
Molecular Weight250.12 g/mol
Exact Mass248.96
IUPAC Name4-(3-bromo-1,2,4-thiadiazol-5-yl)morpholine
SMILESBrc1nsc(N2CCOCC2)n1
InChIInChI=1S/C6H8BrN3OS/c7-5-8-6(12-9-5)10-1-3-11-4-2-10/h1-4H2
InChIKeyBKSVIIGQFAVPDP-UHFFFAOYSA-N
XLogP1.14
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-oxazepane
CID 75376958
2,6-dimorpholin-4-yl-1,3,5-thiadiazin-4-one
CID 15063236
5-bromo-2-morpholin-4-yl-1,3-thiazole-4-carboxylic acid
CID 154878988
4-[6-methyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 163345543
4-(1,3,4-thiadiazol-2-yl)morpholine;hydrochloride
CID 3047399
3-bromo-5-(oxan-4-yl)-1,2,4-thiadiazole
CID 119106311
4-[4-(4-bromobut-1-enyl)-1,3-thiazol-2-yl]morpholine
CID 170498163
3-tert-butyl-5-[4-(oxan-4-yl)piperazin-1-yl]-1,2,4-thiadiazole
CID 133494087
5-morpholin-4-yl-1,2,4-thiadiazol-3-one
CID 89274261
4-(5-bromo-2-methyl-1,2,4-triazol-3-yl)morpholine
CID 51000286
4-(5-methyl-2-morpholin-4-yl-1,3-thiazol-4-yl)morpholine
CID 59034806
2-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propan-2-amine
CID 82427984

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-1,2,4-thiadiazol-5-yl)morpholine?
The IUPAC name of 4-(3-bromo-1,2,4-thiadiazol-5-yl)morpholine (CID 66634232) is 4-(3-bromo-1,2,4-thiadiazol-5-yl)morpholine.
What is the SMILES notation for 4-(3-bromo-1,2,4-thiadiazol-5-yl)morpholine?
The canonical SMILES for 4-(3-bromo-1,2,4-thiadiazol-5-yl)morpholine is Brc1nsc(N2CCOCC2)n1.
What is the InChIKey of 4-(3-bromo-1,2,4-thiadiazol-5-yl)morpholine?
The InChIKey is BKSVIIGQFAVPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3OS/c7-5-8-6(12-9-5)10-1-3-11-4-2-10/h1-4H2.
What are the key properties of 4-(3-bromo-1,2,4-thiadiazol-5-yl)morpholine?
4-(3-bromo-1,2,4-thiadiazol-5-yl)morpholine has a molecular weight of 250.12 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-1,2,4-thiadiazol-5-yl)morpholine is sourced from PubChem (CID 66634232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).