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

C8H9F3N4O2S — CID 119705192

IUPACN-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-3-carboxamide
SMILESO=C(Nc1nnc(C(F)(F)F)s1)C1COCCN1
InChIInChI=1S/C8H9F3N4O2S/c9-8(10,11)6-14-15-7(18-6)13-5(16)4-3-17-2-1-12-4/h4,12H,1-3H2,(H,13,15,16)
InChIKeyHTQNAZIKHYMCLE-UHFFFAOYSA-N
MW282.25 g/mol
LogP0.48
Rot. Bonds2

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

N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-3-carboxamide (PubChem CID 119705192) 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-3-carboxamide.

Molecular Properties

Compound NameN-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-3-carboxamide
PubChem CID119705192
Molecular FormulaC8H9F3N4O2S
Molecular Weight282.25 g/mol
Exact Mass282.04
IUPAC NameN-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-3-carboxamide
SMILESO=C(Nc1nnc(C(F)(F)F)s1)C1COCCN1
InChIInChI=1S/C8H9F3N4O2S/c9-8(10,11)6-14-15-7(18-6)13-5(16)4-3-17-2-1-12-4/h4,12H,1-3H2,(H,13,15,16)
InChIKeyHTQNAZIKHYMCLE-UHFFFAOYSA-N
XLogP0.48
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-3-carboxamide?
The IUPAC name of N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-3-carboxamide (CID 119705192) is N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-3-carboxamide.
What is the SMILES notation for N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-3-carboxamide?
The canonical SMILES for N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-3-carboxamide is O=C(Nc1nnc(C(F)(F)F)s1)C1COCCN1.
What is the InChIKey of N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-3-carboxamide?
The InChIKey is HTQNAZIKHYMCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4O2S/c9-8(10,11)6-14-15-7(18-6)13-5(16)4-3-17-2-1-12-4/h4,12H,1-3H2,(H,13,15,16).
What are the key properties of N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-3-carboxamide?
N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-3-carboxamide has a molecular weight of 282.25 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-3-carboxamide is sourced from PubChem (CID 119705192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).