4-[4-(bromomethyl)-5-methyl-1,3-thiazol-2-yl]morpholine

C9H13BrN2OS — CID 154002466

IUPAC4-[4-(bromomethyl)-5-methyl-1,3-thiazol-2-yl]morpholine
SMILESCc1sc(N2CCOCC2)nc1CBr
InChIInChI=1S/C9H13BrN2OS/c1-7-8(6-10)11-9(14-7)12-2-4-13-5-3-12/h2-6H2,1H3
InChIKeyMZSKTIQVSXYPET-UHFFFAOYSA-N
MW277.19 g/mol
LogP2.18
Rot. Bonds2

About 4-[4-(bromomethyl)-5-methyl-1,3-thiazol-2-yl]morpholine

4-[4-(bromomethyl)-5-methyl-1,3-thiazol-2-yl]morpholine (PubChem CID 154002466) has the molecular formula C9H13BrN2OS and a molecular weight of 277.19 g/mol. Its IUPAC name is 4-[4-(bromomethyl)-5-methyl-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(bromomethyl)-5-methyl-1,3-thiazol-2-yl]morpholine
PubChem CID154002466
Molecular FormulaC9H13BrN2OS
Molecular Weight277.19 g/mol
Exact Mass275.99
IUPAC Name4-[4-(bromomethyl)-5-methyl-1,3-thiazol-2-yl]morpholine
SMILESCc1sc(N2CCOCC2)nc1CBr
InChIInChI=1S/C9H13BrN2OS/c1-7-8(6-10)11-9(14-7)12-2-4-13-5-3-12/h2-6H2,1H3
InChIKeyMZSKTIQVSXYPET-UHFFFAOYSA-N
XLogP2.18
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-[4-(bromomethyl)-5-methyl-1,3-thiazol-2-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(bromomethyl)-5-methyl-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[4-(bromomethyl)-5-methyl-1,3-thiazol-2-yl]morpholine (CID 154002466) is 4-[4-(bromomethyl)-5-methyl-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[4-(bromomethyl)-5-methyl-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[4-(bromomethyl)-5-methyl-1,3-thiazol-2-yl]morpholine is Cc1sc(N2CCOCC2)nc1CBr.
What is the InChIKey of 4-[4-(bromomethyl)-5-methyl-1,3-thiazol-2-yl]morpholine?
The InChIKey is MZSKTIQVSXYPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2OS/c1-7-8(6-10)11-9(14-7)12-2-4-13-5-3-12/h2-6H2,1H3.
What are the key properties of 4-[4-(bromomethyl)-5-methyl-1,3-thiazol-2-yl]morpholine?
4-[4-(bromomethyl)-5-methyl-1,3-thiazol-2-yl]morpholine has a molecular weight of 277.19 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(bromomethyl)-5-methyl-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 154002466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).