4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(methoxymethyl)morpholine

C9H13F2N3O2S — CID 71916926

IUPAC4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(methoxymethyl)morpholine
SMILESCOCC1CN(c2nnc(C(F)F)s2)CCO1
InChIInChI=1S/C9H13F2N3O2S/c1-15-5-6-4-14(2-3-16-6)9-13-12-8(17-9)7(10)11/h6-7H,2-5H2,1H3
InChIKeyKUTLPMKWVDJLBD-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.33
Rot. Bonds4

About 4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(methoxymethyl)morpholine

4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(methoxymethyl)morpholine (PubChem CID 71916926) has the molecular formula C9H13F2N3O2S and a molecular weight of 265.28 g/mol. Its IUPAC name is 4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(methoxymethyl)morpholine.

Molecular Properties

Compound Name4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(methoxymethyl)morpholine
PubChem CID71916926
Molecular FormulaC9H13F2N3O2S
Molecular Weight265.28 g/mol
Exact Mass265.07
IUPAC Name4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(methoxymethyl)morpholine
SMILESCOCC1CN(c2nnc(C(F)F)s2)CCO1
InChIInChI=1S/C9H13F2N3O2S/c1-15-5-6-4-14(2-3-16-6)9-13-12-8(17-9)7(10)11/h6-7H,2-5H2,1H3
InChIKeyKUTLPMKWVDJLBD-UHFFFAOYSA-N
XLogP1.33
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine
CID 1876244
2,6-Dimethyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine
CID 131703787
(2S)-4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(methoxymethyl)morpholine
CID 96542899
(2R)-4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(methoxymethyl)morpholine
CID 96542900
[6-Methyl-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanamine
CID 102938748
N-methyl-N-(morpholin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 113587027
Methyl 4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxylate
CID 113587059
2-(Chloromethyl)-6-methyl-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine
CID 113754909
2-(Bromomethyl)-6-methyl-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine
CID 113754939
N-(1,4-dioxan-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448322
1-Methoxy-3-[methyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propan-2-ol
CID 114448339
4-[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carbonitrile
CID 114448513

Frequently Asked Questions

What is the IUPAC name of 4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(methoxymethyl)morpholine?
The IUPAC name of 4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(methoxymethyl)morpholine (CID 71916926) is 4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(methoxymethyl)morpholine.
What is the SMILES notation for 4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(methoxymethyl)morpholine?
The canonical SMILES for 4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(methoxymethyl)morpholine is COCC1CN(c2nnc(C(F)F)s2)CCO1.
What is the InChIKey of 4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(methoxymethyl)morpholine?
The InChIKey is KUTLPMKWVDJLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O2S/c1-15-5-6-4-14(2-3-16-6)9-13-12-8(17-9)7(10)11/h6-7H,2-5H2,1H3.
What are the key properties of 4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(methoxymethyl)morpholine?
4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(methoxymethyl)morpholine has a molecular weight of 265.28 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(methoxymethyl)morpholine is sourced from PubChem (CID 71916926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).