6-(bromomethyl)-4-(4-ethyl-1,3-thiazol-2-yl)-2,2-dimethylmorpholine

C12H19BrN2OS — CID 114780974

IUPAC6-(bromomethyl)-4-(4-ethyl-1,3-thiazol-2-yl)-2,2-dimethylmorpholine
SMILESCCc1csc(N2CC(CBr)OC(C)(C)C2)n1
InChIInChI=1S/C12H19BrN2OS/c1-4-9-7-17-11(14-9)15-6-10(5-13)16-12(2,3)8-15/h7,10H,4-6,8H2,1-3H3
InChIKeyOMUSUYYJCQDLRU-UHFFFAOYSA-N
MW319.27 g/mol
LogP3.08
Rot. Bonds3

About 6-(bromomethyl)-4-(4-ethyl-1,3-thiazol-2-yl)-2,2-dimethylmorpholine

6-(bromomethyl)-4-(4-ethyl-1,3-thiazol-2-yl)-2,2-dimethylmorpholine (PubChem CID 114780974) has the molecular formula C12H19BrN2OS and a molecular weight of 319.27 g/mol. Its IUPAC name is 6-(bromomethyl)-4-(4-ethyl-1,3-thiazol-2-yl)-2,2-dimethylmorpholine.

Molecular Properties

Compound Name6-(bromomethyl)-4-(4-ethyl-1,3-thiazol-2-yl)-2,2-dimethylmorpholine
PubChem CID114780974
Molecular FormulaC12H19BrN2OS
Molecular Weight319.27 g/mol
Exact Mass318.04
IUPAC Name6-(bromomethyl)-4-(4-ethyl-1,3-thiazol-2-yl)-2,2-dimethylmorpholine
SMILESCCc1csc(N2CC(CBr)OC(C)(C)C2)n1
InChIInChI=1S/C12H19BrN2OS/c1-4-9-7-17-11(14-9)15-6-10(5-13)16-12(2,3)8-15/h7,10H,4-6,8H2,1-3H3
InChIKeyOMUSUYYJCQDLRU-UHFFFAOYSA-N
XLogP3.08
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.27
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(bromomethyl)-4-(4-ethyl-1,3-thiazol-2-yl)-2,2-dimethylmorpholine with MolForge

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

Launch Full Analysis

Related Compounds

6-(bromomethyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-dimethylmorpholine
CID 114781000
6-(bromomethyl)-4-(4,6-dimethylpyrimidin-2-yl)-2,2-dimethylmorpholine
CID 114780970
6-(bromomethyl)-2,2-dimethyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine
CID 107306197
2-[3-(bromomethyl)piperidin-1-yl]-4-ethyl-1,3-thiazole
CID 80673929
6-(bromomethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,2-dimethylmorpholine
CID 114787973
6-(bromomethyl)-2,2-dimethyl-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine
CID 114781006
6-(bromomethyl)-2,2-dimethyl-4-pyrazin-2-ylmorpholine
CID 114780992
N-[1-[2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 64545588
6-(bromomethyl)-2,2-dimethyl-4-(4-methyl-6-propoxypyrimidin-2-yl)morpholine
CID 114781072
2-amino-2-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1,3-thiazol-4-yl]acetic acid
CID 114782631
6-(bromomethyl)-2,2-dimethyl-4-(6-propoxypyrimidin-4-yl)morpholine
CID 114780964
6-(bromomethyl)-4-(3-ethoxy-2-pyridinyl)-2,2-dimethylmorpholine
CID 114781073

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-4-(4-ethyl-1,3-thiazol-2-yl)-2,2-dimethylmorpholine?
The IUPAC name of 6-(bromomethyl)-4-(4-ethyl-1,3-thiazol-2-yl)-2,2-dimethylmorpholine (CID 114780974) is 6-(bromomethyl)-4-(4-ethyl-1,3-thiazol-2-yl)-2,2-dimethylmorpholine.
What is the SMILES notation for 6-(bromomethyl)-4-(4-ethyl-1,3-thiazol-2-yl)-2,2-dimethylmorpholine?
The canonical SMILES for 6-(bromomethyl)-4-(4-ethyl-1,3-thiazol-2-yl)-2,2-dimethylmorpholine is CCc1csc(N2CC(CBr)OC(C)(C)C2)n1.
What is the InChIKey of 6-(bromomethyl)-4-(4-ethyl-1,3-thiazol-2-yl)-2,2-dimethylmorpholine?
The InChIKey is OMUSUYYJCQDLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2OS/c1-4-9-7-17-11(14-9)15-6-10(5-13)16-12(2,3)8-15/h7,10H,4-6,8H2,1-3H3.
What are the key properties of 6-(bromomethyl)-4-(4-ethyl-1,3-thiazol-2-yl)-2,2-dimethylmorpholine?
6-(bromomethyl)-4-(4-ethyl-1,3-thiazol-2-yl)-2,2-dimethylmorpholine has a molecular weight of 319.27 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-4-(4-ethyl-1,3-thiazol-2-yl)-2,2-dimethylmorpholine is sourced from PubChem (CID 114780974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).