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

C8H9F3N4O2S — CID 3388566

IUPACN-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide
SMILESO=C(Nc1nnc(C(F)(F)F)s1)N1CCOCC1
InChIInChI=1S/C8H9F3N4O2S/c9-8(10,11)5-13-14-6(18-5)12-7(16)15-1-3-17-4-2-15/h1-4H2,(H,12,14,16)
InChIKeyLBFCNIITVUNJCL-UHFFFAOYSA-N
MW282.25 g/mol
LogP1.42
Rot. Bonds1

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

N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide (PubChem CID 3388566) has the molecular formula C8H9F3N4O2S and a molecular weight of 282.25 g/mol. Its IUPAC name is N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide
PubChem CID3388566
Molecular FormulaC8H9F3N4O2S
Molecular Weight282.25 g/mol
Exact Mass282.04
IUPAC NameN-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide
SMILESO=C(Nc1nnc(C(F)(F)F)s1)N1CCOCC1
InChIInChI=1S/C8H9F3N4O2S/c9-8(10,11)5-13-14-6(18-5)12-7(16)15-1-3-17-4-2-15/h1-4H2,(H,12,14,16)
InChIKeyLBFCNIITVUNJCL-UHFFFAOYSA-N
XLogP1.42
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide (CID 3388566) is N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide is O=C(Nc1nnc(C(F)(F)F)s1)N1CCOCC1.
What is the InChIKey of N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide?
The InChIKey is LBFCNIITVUNJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4O2S/c9-8(10,11)5-13-14-6(18-5)12-7(16)15-1-3-17-4-2-15/h1-4H2,(H,12,14,16).
What are the key properties of N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide?
N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide has a molecular weight of 282.25 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 3388566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).