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

C8H11BrN2OS — CID 82514880

IUPAC4-[4-(bromomethyl)-1,3-thiazol-2-yl]morpholine
SMILESBrCc1csc(N2CCOCC2)n1
InChIInChI=1S/C8H11BrN2OS/c9-5-7-6-13-8(10-7)11-1-3-12-4-2-11/h6H,1-5H2
InChIKeyAPSRSRSIZYFDDX-UHFFFAOYSA-N
MW263.16 g/mol
LogP1.87
Rot. Bonds2

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

4-[4-(bromomethyl)-1,3-thiazol-2-yl]morpholine (PubChem CID 82514880) has the molecular formula C8H11BrN2OS and a molecular weight of 263.16 g/mol. Its IUPAC name is 4-[4-(bromomethyl)-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(bromomethyl)-1,3-thiazol-2-yl]morpholine
PubChem CID82514880
Molecular FormulaC8H11BrN2OS
Molecular Weight263.16 g/mol
Exact Mass261.98
IUPAC Name4-[4-(bromomethyl)-1,3-thiazol-2-yl]morpholine
SMILESBrCc1csc(N2CCOCC2)n1
InChIInChI=1S/C8H11BrN2OS/c9-5-7-6-13-8(10-7)11-1-3-12-4-2-11/h6H,1-5H2
InChIKeyAPSRSRSIZYFDDX-UHFFFAOYSA-N
XLogP1.87
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.16
LogP ≤ 51.87
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

4-(4-Methyl-1,3-thiazol-2-yl)morpholine
CID 2324399
4-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]morpholine
CID 1477932
4-(4-Bromo-1,3-thiazol-2-yl)morpholine
CID 43811042
5-Bromo-4-methyl-2-(morpholino)thiazole
CID 83554009
4-[4-(Chloromethyl)-1,3-thiazol-2-yl]morpholine hydrochloride
CID 165943189
4-(4-Ethyl-1,3-thiazol-2-yl)morpholine
CID 115645122
4-[4-(Chloromethyl)-1,3-thiazol-2-yl]morpholine
CID 15290886
N-(2-methoxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 57960478
N-(2-fluoroethyl)-N-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-amine
CID 88585181
4-Methyl-2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]-1,3-thiazole
CID 53529978
4-Methyl-2-[2-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]-1,3-thiazole
CID 53620641
4-methyl-2-[(2S)-2-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]-1,3-thiazole
CID 95345942

Frequently Asked Questions

What is the IUPAC name of 4-[4-(bromomethyl)-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[4-(bromomethyl)-1,3-thiazol-2-yl]morpholine (CID 82514880) is 4-[4-(bromomethyl)-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[4-(bromomethyl)-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[4-(bromomethyl)-1,3-thiazol-2-yl]morpholine is BrCc1csc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-(bromomethyl)-1,3-thiazol-2-yl]morpholine?
The InChIKey is APSRSRSIZYFDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2OS/c9-5-7-6-13-8(10-7)11-1-3-12-4-2-11/h6H,1-5H2.
What are the key properties of 4-[4-(bromomethyl)-1,3-thiazol-2-yl]morpholine?
4-[4-(bromomethyl)-1,3-thiazol-2-yl]morpholine has a molecular weight of 263.16 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(bromomethyl)-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 82514880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).