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

C8H11BrN2OS — CID 83554009

IUPAC4-(5-bromo-4-methyl-1,3-thiazol-2-yl)morpholine
SMILESCc1nc(N2CCOCC2)sc1Br
InChIInChI=1S/C8H11BrN2OS/c1-6-7(9)13-8(10-6)11-2-4-12-5-3-11/h2-5H2,1H3
InChIKeyXHLSXBBHGMRSQG-UHFFFAOYSA-N
MW263.16 g/mol
LogP2.05
Rot. Bonds1

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

4-(5-bromo-4-methyl-1,3-thiazol-2-yl)morpholine (PubChem CID 83554009) has the molecular formula C8H11BrN2OS and a molecular weight of 263.16 g/mol. Its IUPAC name is 4-(5-bromo-4-methyl-1,3-thiazol-2-yl)morpholine.

Molecular Properties

Compound Name4-(5-bromo-4-methyl-1,3-thiazol-2-yl)morpholine
PubChem CID83554009
Molecular FormulaC8H11BrN2OS
Molecular Weight263.16 g/mol
Exact Mass261.98
IUPAC Name4-(5-bromo-4-methyl-1,3-thiazol-2-yl)morpholine
SMILESCc1nc(N2CCOCC2)sc1Br
InChIInChI=1S/C8H11BrN2OS/c1-6-7(9)13-8(10-6)11-2-4-12-5-3-11/h2-5H2,1H3
InChIKeyXHLSXBBHGMRSQG-UHFFFAOYSA-N
XLogP2.05
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.16
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-4-methyl-1,3-thiazol-2-yl)morpholine?
The IUPAC name of 4-(5-bromo-4-methyl-1,3-thiazol-2-yl)morpholine (CID 83554009) is 4-(5-bromo-4-methyl-1,3-thiazol-2-yl)morpholine.
What is the SMILES notation for 4-(5-bromo-4-methyl-1,3-thiazol-2-yl)morpholine?
The canonical SMILES for 4-(5-bromo-4-methyl-1,3-thiazol-2-yl)morpholine is Cc1nc(N2CCOCC2)sc1Br.
What is the InChIKey of 4-(5-bromo-4-methyl-1,3-thiazol-2-yl)morpholine?
The InChIKey is XHLSXBBHGMRSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2OS/c1-6-7(9)13-8(10-6)11-2-4-12-5-3-11/h2-5H2,1H3.
What are the key properties of 4-(5-bromo-4-methyl-1,3-thiazol-2-yl)morpholine?
4-(5-bromo-4-methyl-1,3-thiazol-2-yl)morpholine has a molecular weight of 263.16 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-4-methyl-1,3-thiazol-2-yl)morpholine is sourced from PubChem (CID 83554009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).