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

C7H9F2N3OS — CID 130162815

IUPAC4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine
SMILESFC(F)c1nnc(N2CCOCC2)s1
InChIInChI=1S/C7H9F2N3OS/c8-5(9)6-10-11-7(14-6)12-1-3-13-4-2-12/h5H,1-4H2
InChIKeySTHFQZSRSGCGIG-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.31
Rot. Bonds2

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

4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine (PubChem CID 130162815) has the molecular formula C7H9F2N3OS and a molecular weight of 221.23 g/mol. Its IUPAC name is 4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine
PubChem CID130162815
Molecular FormulaC7H9F2N3OS
Molecular Weight221.23 g/mol
Exact Mass221.04
IUPAC Name4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine
SMILESFC(F)c1nnc(N2CCOCC2)s1
InChIInChI=1S/C7H9F2N3OS/c8-5(9)6-10-11-7(14-6)12-1-3-13-4-2-12/h5H,1-4H2
InChIKeySTHFQZSRSGCGIG-UHFFFAOYSA-N
XLogP1.31
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine?
The IUPAC name of 4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine (CID 130162815) is 4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine.
What is the SMILES notation for 4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine?
The canonical SMILES for 4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine is FC(F)c1nnc(N2CCOCC2)s1.
What is the InChIKey of 4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine?
The InChIKey is STHFQZSRSGCGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3OS/c8-5(9)6-10-11-7(14-6)12-1-3-13-4-2-12/h5H,1-4H2.
What are the key properties of 4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine?
4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine has a molecular weight of 221.23 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine is sourced from PubChem (CID 130162815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).