4-(5-Bromo-1,3-thiazol-2-yl)morpholine

C7H9BrN2OS — CID 45787551

IUPAC4-(5-bromo-1,3-thiazol-2-yl)morpholine
SMILESC1COCCN1C2=NC=C(S2)Br
InChIInChI=1S/C7H9BrN2OS/c8-6-5-9-7(12-6)10-1-3-11-4-2-10/h5H,1-4H2
InChIKeyUJOKEKHNLUXDEY-UHFFFAOYSA-N
MW249.13 g/mol
LogP2.10
Rot. Bonds1

About 4-(5-Bromo-1,3-thiazol-2-yl)morpholine

4-(5-Bromo-1,3-thiazol-2-yl)morpholine (PubChem CID 45787551) has the molecular formula C7H9BrN2OS and a molecular weight of 249.13 g/mol. Its IUPAC name is 4-(5-bromo-1,3-thiazol-2-yl)morpholine.

Molecular Properties

Compound Name4-(5-Bromo-1,3-thiazol-2-yl)morpholine
PubChem CID45787551
Molecular FormulaC7H9BrN2OS
Molecular Weight249.13 g/mol
Exact Mass247.96
IUPAC Name4-(5-bromo-1,3-thiazol-2-yl)morpholine
SMILESC1COCCN1C2=NC=C(S2)Br
InChIInChI=1S/C7H9BrN2OS/c8-6-5-9-7(12-6)10-1-3-11-4-2-10/h5H,1-4H2
InChIKeyUJOKEKHNLUXDEY-UHFFFAOYSA-N
XLogP2.10
TPSA53.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity154

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.13
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-Bromo-1,3-thiazol-2-yl)morpholine?
The IUPAC name of 4-(5-Bromo-1,3-thiazol-2-yl)morpholine (CID 45787551) is 4-(5-bromo-1,3-thiazol-2-yl)morpholine.
What is the SMILES notation for 4-(5-Bromo-1,3-thiazol-2-yl)morpholine?
The canonical SMILES for 4-(5-Bromo-1,3-thiazol-2-yl)morpholine is C1COCCN1C2=NC=C(S2)Br.
What is the InChIKey of 4-(5-Bromo-1,3-thiazol-2-yl)morpholine?
The InChIKey is UJOKEKHNLUXDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2OS/c8-6-5-9-7(12-6)10-1-3-11-4-2-10/h5H,1-4H2.
What are the key properties of 4-(5-Bromo-1,3-thiazol-2-yl)morpholine?
4-(5-Bromo-1,3-thiazol-2-yl)morpholine has a molecular weight of 249.13 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-Bromo-1,3-thiazol-2-yl)morpholine is sourced from PubChem (CID 45787551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).