2-(chloromethyl)-6-methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine

C9H11ClF3N3OS — CID 107306215

IUPAC2-(chloromethyl)-6-methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine
SMILESCC1CN(c2nc(C(F)(F)F)ns2)CC(CCl)O1
InChIInChI=1S/C9H11ClF3N3OS/c1-5-3-16(4-6(2-10)17-5)8-14-7(15-18-8)9(11,12)13/h5-6H,2-4H2,1H3
InChIKeyDCWVXCZUJUSUTF-UHFFFAOYSA-N
MW301.72 g/mol
LogP2.39
Rot. Bonds2

About 2-(chloromethyl)-6-methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine

2-(chloromethyl)-6-methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine (PubChem CID 107306215) has the molecular formula C9H11ClF3N3OS and a molecular weight of 301.72 g/mol. Its IUPAC name is 2-(chloromethyl)-6-methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine.

Molecular Properties

Compound Name2-(chloromethyl)-6-methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine
PubChem CID107306215
Molecular FormulaC9H11ClF3N3OS
Molecular Weight301.72 g/mol
Exact Mass301.03
IUPAC Name2-(chloromethyl)-6-methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine
SMILESCC1CN(c2nc(C(F)(F)F)ns2)CC(CCl)O1
InChIInChI=1S/C9H11ClF3N3OS/c1-5-3-16(4-6(2-10)17-5)8-14-7(15-18-8)9(11,12)13/h5-6H,2-4H2,1H3
InChIKeyDCWVXCZUJUSUTF-UHFFFAOYSA-N
XLogP2.39
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.72
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-6-methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine 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

(2R,6S)-2,6-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
CID 97009069
2-(Bromomethyl)-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine
CID 107306144
2-(Chloromethyl)-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine
CID 107306146
2-(Chloromethyl)-5-methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine
CID 107306148
5-[4-(2-Chloroethoxy)piperidin-1-yl]-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107306154
N-(2-chloroethyl)-N-(2-methoxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107306163
3-(Chloromethyl)-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine
CID 107306187
6-(Chloromethyl)-2,2-dimethyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine
CID 113944149
2-(Bromomethyl)-6-methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine
CID 113944152
[6-Methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanamine
CID 113944165
N-(2-chloroethyl)-3-(1-methoxyethyl)-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 114268432
N-[2-(2-chloroethoxy)ethyl]-N-propan-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 114276331

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine?
The IUPAC name of 2-(chloromethyl)-6-methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine (CID 107306215) is 2-(chloromethyl)-6-methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine.
What is the SMILES notation for 2-(chloromethyl)-6-methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine?
The canonical SMILES for 2-(chloromethyl)-6-methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine is CC1CN(c2nc(C(F)(F)F)ns2)CC(CCl)O1.
What is the InChIKey of 2-(chloromethyl)-6-methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine?
The InChIKey is DCWVXCZUJUSUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3N3OS/c1-5-3-16(4-6(2-10)17-5)8-14-7(15-18-8)9(11,12)13/h5-6H,2-4H2,1H3.
What are the key properties of 2-(chloromethyl)-6-methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine?
2-(chloromethyl)-6-methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine has a molecular weight of 301.72 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine is sourced from PubChem (CID 107306215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).