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

C9H13BrN2OS — CID 81210210

IUPAC2-(bromomethyl)-5-methyl-4-(1,3-thiazol-2-yl)morpholine
SMILESCC1COC(CBr)CN1c1nccs1
InChIInChI=1S/C9H13BrN2OS/c1-7-6-13-8(4-10)5-12(7)9-11-2-3-14-9/h2-3,7-8H,4-6H2,1H3
InChIKeyUEPJHAKNUXCVAH-UHFFFAOYSA-N
MW277.19 g/mol
LogP2.13
Rot. Bonds2

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

2-(bromomethyl)-5-methyl-4-(1,3-thiazol-2-yl)morpholine (PubChem CID 81210210) has the molecular formula C9H13BrN2OS and a molecular weight of 277.19 g/mol. Its IUPAC name is 2-(bromomethyl)-5-methyl-4-(1,3-thiazol-2-yl)morpholine.

Molecular Properties

Compound Name2-(bromomethyl)-5-methyl-4-(1,3-thiazol-2-yl)morpholine
PubChem CID81210210
Molecular FormulaC9H13BrN2OS
Molecular Weight277.19 g/mol
Exact Mass275.99
IUPAC Name2-(bromomethyl)-5-methyl-4-(1,3-thiazol-2-yl)morpholine
SMILESCC1COC(CBr)CN1c1nccs1
InChIInChI=1S/C9H13BrN2OS/c1-7-6-13-8(4-10)5-12(7)9-11-2-3-14-9/h2-3,7-8H,4-6H2,1H3
InChIKeyUEPJHAKNUXCVAH-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-methyl-4-(1,3-thiazol-2-yl)morpholine?
The IUPAC name of 2-(bromomethyl)-5-methyl-4-(1,3-thiazol-2-yl)morpholine (CID 81210210) is 2-(bromomethyl)-5-methyl-4-(1,3-thiazol-2-yl)morpholine.
What is the SMILES notation for 2-(bromomethyl)-5-methyl-4-(1,3-thiazol-2-yl)morpholine?
The canonical SMILES for 2-(bromomethyl)-5-methyl-4-(1,3-thiazol-2-yl)morpholine is CC1COC(CBr)CN1c1nccs1.
What is the InChIKey of 2-(bromomethyl)-5-methyl-4-(1,3-thiazol-2-yl)morpholine?
The InChIKey is UEPJHAKNUXCVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2OS/c1-7-6-13-8(4-10)5-12(7)9-11-2-3-14-9/h2-3,7-8H,4-6H2,1H3.
What are the key properties of 2-(bromomethyl)-5-methyl-4-(1,3-thiazol-2-yl)morpholine?
2-(bromomethyl)-5-methyl-4-(1,3-thiazol-2-yl)morpholine has a molecular weight of 277.19 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-methyl-4-(1,3-thiazol-2-yl)morpholine is sourced from PubChem (CID 81210210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).