3-(5-bromo-1,3-thiazol-2-yl)morpholine

C7H9BrN2OS — CID 83693202

IUPAC3-(5-bromo-1,3-thiazol-2-yl)morpholine
SMILESBrc1cnc(C2COCCN2)s1
InChIInChI=1S/C7H9BrN2OS/c8-6-3-10-7(12-6)5-4-11-2-1-9-5/h3,5,9H,1-2,4H2
InChIKeyMAFNHTALFULQCJ-UHFFFAOYSA-N
MW249.13 g/mol
LogP1.57
Rot. Bonds1

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

3-(5-bromo-1,3-thiazol-2-yl)morpholine (PubChem CID 83693202) has the molecular formula C7H9BrN2OS and a molecular weight of 249.13 g/mol. Its IUPAC name is 3-(5-bromo-1,3-thiazol-2-yl)morpholine.

Molecular Properties

Compound Name3-(5-bromo-1,3-thiazol-2-yl)morpholine
PubChem CID83693202
Molecular FormulaC7H9BrN2OS
Molecular Weight249.13 g/mol
Exact Mass247.96
IUPAC Name3-(5-bromo-1,3-thiazol-2-yl)morpholine
SMILESBrc1cnc(C2COCCN2)s1
InChIInChI=1S/C7H9BrN2OS/c8-6-3-10-7(12-6)5-4-11-2-1-9-5/h3,5,9H,1-2,4H2
InChIKeyMAFNHTALFULQCJ-UHFFFAOYSA-N
XLogP1.57
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.13
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(5,6-dibromo-3-pyridinyl)morpholine
CID 131118655
(3R)-3-(1,3-benzothiazol-2-yl)morpholine
CID 96788923
3-(3,5-dibromophenyl)morpholine
CID 126971173
3-(4-bromo-5-chlorothiophen-2-yl)morpholine
CID 130880379
3-(5-bromo-4-methylthiophen-2-yl)morpholine
CID 130059273
3-(1,3-thiazol-5-yl)morpholine
CID 82598222
3-(5-bromo-1-methylpyrazol-4-yl)morpholine
CID 84803089
3-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]morpholine
CID 102748349
(3S)-3-(5-chloro-6-fluoro-3-pyridinyl)morpholine
CID 130647727
6-[(3R)-morpholin-3-yl]pyridin-3-ol
CID 55274122
3-(1,2,4-oxadiazol-3-yl)morpholine
CID 71757676
3-pyridin-2-ylmorpholine
CID 54247101

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-1,3-thiazol-2-yl)morpholine?
The IUPAC name of 3-(5-bromo-1,3-thiazol-2-yl)morpholine (CID 83693202) is 3-(5-bromo-1,3-thiazol-2-yl)morpholine.
What is the SMILES notation for 3-(5-bromo-1,3-thiazol-2-yl)morpholine?
The canonical SMILES for 3-(5-bromo-1,3-thiazol-2-yl)morpholine is Brc1cnc(C2COCCN2)s1.
What is the InChIKey of 3-(5-bromo-1,3-thiazol-2-yl)morpholine?
The InChIKey is MAFNHTALFULQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2OS/c8-6-3-10-7(12-6)5-4-11-2-1-9-5/h3,5,9H,1-2,4H2.
What are the key properties of 3-(5-bromo-1,3-thiazol-2-yl)morpholine?
3-(5-bromo-1,3-thiazol-2-yl)morpholine has a molecular weight of 249.13 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-1,3-thiazol-2-yl)morpholine is sourced from PubChem (CID 83693202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).