6-(bromomethyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-dimethylmorpholine

C12H19BrN2OS — CID 114781000

IUPAC6-(bromomethyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-dimethylmorpholine
SMILESCc1nc(N2CC(CBr)OC(C)(C)C2)sc1C
InChIInChI=1S/C12H19BrN2OS/c1-8-9(2)17-11(14-8)15-6-10(5-13)16-12(3,4)7-15/h10H,5-7H2,1-4H3
InChIKeyCBVDNAAKMQXYSY-UHFFFAOYSA-N
MW319.27 g/mol
LogP3.14
Rot. Bonds2

About 6-(bromomethyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-dimethylmorpholine

6-(bromomethyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-dimethylmorpholine (PubChem CID 114781000) has the molecular formula C12H19BrN2OS and a molecular weight of 319.27 g/mol. Its IUPAC name is 6-(bromomethyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-dimethylmorpholine.

Molecular Properties

Compound Name6-(bromomethyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-dimethylmorpholine
PubChem CID114781000
Molecular FormulaC12H19BrN2OS
Molecular Weight319.27 g/mol
Exact Mass318.04
IUPAC Name6-(bromomethyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-dimethylmorpholine
SMILESCc1nc(N2CC(CBr)OC(C)(C)C2)sc1C
InChIInChI=1S/C12H19BrN2OS/c1-8-9(2)17-11(14-8)15-6-10(5-13)16-12(3,4)7-15/h10H,5-7H2,1-4H3
InChIKeyCBVDNAAKMQXYSY-UHFFFAOYSA-N
XLogP3.14
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.27
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(bromomethyl)-4-(4-ethyl-1,3-thiazol-2-yl)-2,2-dimethylmorpholine
CID 114780974
6-(bromomethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,2-dimethylmorpholine
CID 114787973
6-(bromomethyl)-4-(4,6-dimethylpyrimidin-2-yl)-2,2-dimethylmorpholine
CID 114780970
6-(bromomethyl)-2,2-dimethyl-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine
CID 114781006
6-(bromomethyl)-2,2-dimethyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine
CID 107306197
6-(bromomethyl)-2,2-dimethyl-4-pyrazin-2-ylmorpholine
CID 114780992
[6,6-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanamine
CID 114782371
6-(bromomethyl)-2,2-dimethyl-4-(4-methyl-6-propoxypyrimidin-2-yl)morpholine
CID 114781072
6-(bromomethyl)-4-(3-ethoxy-2-pyridinyl)-2,2-dimethylmorpholine
CID 114781073
4,5-dimethyl-2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1,3-thiazole
CID 121185466
5-acetyl-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1,3-thiazole-4-carboxylic acid
CID 106698166
6-(bromomethyl)-2,2-dimethyl-4-(6-propoxypyrimidin-4-yl)morpholine
CID 114780964

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-dimethylmorpholine?
The IUPAC name of 6-(bromomethyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-dimethylmorpholine (CID 114781000) is 6-(bromomethyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-dimethylmorpholine.
What is the SMILES notation for 6-(bromomethyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-dimethylmorpholine?
The canonical SMILES for 6-(bromomethyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-dimethylmorpholine is Cc1nc(N2CC(CBr)OC(C)(C)C2)sc1C.
What is the InChIKey of 6-(bromomethyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-dimethylmorpholine?
The InChIKey is CBVDNAAKMQXYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2OS/c1-8-9(2)17-11(14-8)15-6-10(5-13)16-12(3,4)7-15/h10H,5-7H2,1-4H3.
What are the key properties of 6-(bromomethyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-dimethylmorpholine?
6-(bromomethyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-dimethylmorpholine has a molecular weight of 319.27 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-dimethylmorpholine is sourced from PubChem (CID 114781000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).