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

C8H7F3N4OS — CID 114448513

IUPAC4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carbonitrile
SMILESN#CC1CN(c2nnc(C(F)(F)F)s2)CCO1
InChIInChI=1S/C8H7F3N4OS/c9-8(10,11)6-13-14-7(17-6)15-1-2-16-5(3-12)4-15/h5H,1-2,4H2
InChIKeyPRZVYHWODCTJEI-UHFFFAOYSA-N
MW264.23 g/mol
LogP1.29
Rot. Bonds1

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

4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carbonitrile (PubChem CID 114448513) has the molecular formula C8H7F3N4OS and a molecular weight of 264.23 g/mol. Its IUPAC name is 4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carbonitrile
PubChem CID114448513
Molecular FormulaC8H7F3N4OS
Molecular Weight264.23 g/mol
Exact Mass264.03
IUPAC Name4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carbonitrile
SMILESN#CC1CN(c2nnc(C(F)(F)F)s2)CCO1
InChIInChI=1S/C8H7F3N4OS/c9-8(10,11)6-13-14-7(17-6)15-1-2-16-5(3-12)4-15/h5H,1-2,4H2
InChIKeyPRZVYHWODCTJEI-UHFFFAOYSA-N
XLogP1.29
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carbonitrile?
The IUPAC name of 4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carbonitrile (CID 114448513) is 4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carbonitrile is N#CC1CN(c2nnc(C(F)(F)F)s2)CCO1.
What is the InChIKey of 4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carbonitrile?
The InChIKey is PRZVYHWODCTJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4OS/c9-8(10,11)6-13-14-7(17-6)15-1-2-16-5(3-12)4-15/h5H,1-2,4H2.
What are the key properties of 4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carbonitrile?
4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carbonitrile has a molecular weight of 264.23 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carbonitrile is sourced from PubChem (CID 114448513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).