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

C11H18BrN3OS — CID 81209859

IUPAC2-(bromomethyl)-5-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine
SMILESCC(C)c1nsc(N2CC(CBr)OCC2C)n1
InChIInChI=1S/C11H18BrN3OS/c1-7(2)10-13-11(17-14-10)15-5-9(4-12)16-6-8(15)3/h7-9H,4-6H2,1-3H3
InChIKeySIEVSIXEDOTZDR-UHFFFAOYSA-N
MW320.26 g/mol
LogP2.65
Rot. Bonds3

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

2-(bromomethyl)-5-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine (PubChem CID 81209859) has the molecular formula C11H18BrN3OS and a molecular weight of 320.26 g/mol. Its IUPAC name is 2-(bromomethyl)-5-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine.

Molecular Properties

Compound Name2-(bromomethyl)-5-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine
PubChem CID81209859
Molecular FormulaC11H18BrN3OS
Molecular Weight320.26 g/mol
Exact Mass319.04
IUPAC Name2-(bromomethyl)-5-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine
SMILESCC(C)c1nsc(N2CC(CBr)OCC2C)n1
InChIInChI=1S/C11H18BrN3OS/c1-7(2)10-13-11(17-14-10)15-5-9(4-12)16-6-8(15)3/h7-9H,4-6H2,1-3H3
InChIKeySIEVSIXEDOTZDR-UHFFFAOYSA-N
XLogP2.65
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.26
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine?
The IUPAC name of 2-(bromomethyl)-5-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine (CID 81209859) is 2-(bromomethyl)-5-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine.
What is the SMILES notation for 2-(bromomethyl)-5-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine?
The canonical SMILES for 2-(bromomethyl)-5-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine is CC(C)c1nsc(N2CC(CBr)OCC2C)n1.
What is the InChIKey of 2-(bromomethyl)-5-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine?
The InChIKey is SIEVSIXEDOTZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3OS/c1-7(2)10-13-11(17-14-10)15-5-9(4-12)16-6-8(15)3/h7-9H,4-6H2,1-3H3.
What are the key properties of 2-(bromomethyl)-5-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine?
2-(bromomethyl)-5-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine has a molecular weight of 320.26 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine is sourced from PubChem (CID 81209859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).