4-(4-bromo-1,3-thiazol-2-yl)morpholine

C7H9BrN2OS — CID 43811042

IUPAC4-(4-bromo-1,3-thiazol-2-yl)morpholine
SMILESBrc1csc(N2CCOCC2)n1
InChIInChI=1S/C7H9BrN2OS/c8-6-5-12-7(9-6)10-1-3-11-4-2-10/h5H,1-4H2
InChIKeyXPFAGXZWVZAYCS-UHFFFAOYSA-N
MW249.13 g/mol
LogP1.74
Rot. Bonds1

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

4-(4-bromo-1,3-thiazol-2-yl)morpholine (PubChem CID 43811042) has the molecular formula C7H9BrN2OS and a molecular weight of 249.13 g/mol. Its IUPAC name is 4-(4-bromo-1,3-thiazol-2-yl)morpholine.

Molecular Properties

Compound Name4-(4-bromo-1,3-thiazol-2-yl)morpholine
PubChem CID43811042
Molecular FormulaC7H9BrN2OS
Molecular Weight249.13 g/mol
Exact Mass247.96
IUPAC Name4-(4-bromo-1,3-thiazol-2-yl)morpholine
SMILESBrc1csc(N2CCOCC2)n1
InChIInChI=1S/C7H9BrN2OS/c8-6-5-12-7(9-6)10-1-3-11-4-2-10/h5H,1-4H2
InChIKeyXPFAGXZWVZAYCS-UHFFFAOYSA-N
XLogP1.74
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.13
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-1,3-thiazol-2-yl)morpholine?
The IUPAC name of 4-(4-bromo-1,3-thiazol-2-yl)morpholine (CID 43811042) is 4-(4-bromo-1,3-thiazol-2-yl)morpholine.
What is the SMILES notation for 4-(4-bromo-1,3-thiazol-2-yl)morpholine?
The canonical SMILES for 4-(4-bromo-1,3-thiazol-2-yl)morpholine is Brc1csc(N2CCOCC2)n1.
What is the InChIKey of 4-(4-bromo-1,3-thiazol-2-yl)morpholine?
The InChIKey is XPFAGXZWVZAYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2OS/c8-6-5-12-7(9-6)10-1-3-11-4-2-10/h5H,1-4H2.
What are the key properties of 4-(4-bromo-1,3-thiazol-2-yl)morpholine?
4-(4-bromo-1,3-thiazol-2-yl)morpholine has a molecular weight of 249.13 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-1,3-thiazol-2-yl)morpholine is sourced from PubChem (CID 43811042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).