1-morpholin-4-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one

C10H13F3N4O2S — CID 107305118

IUPAC1-morpholin-4-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one
SMILESO=C(CCNc1nc(C(F)(F)F)ns1)N1CCOCC1
InChIInChI=1S/C10H13F3N4O2S/c11-10(12,13)8-15-9(20-16-8)14-2-1-7(18)17-3-5-19-6-4-17/h1-6H2,(H,14,15,16)
InChIKeyDYRPEGNCLXROEV-UHFFFAOYSA-N
MW310.30 g/mol
LogP1.22
Rot. Bonds4

About 1-morpholin-4-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one

1-morpholin-4-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one (PubChem CID 107305118) has the molecular formula C10H13F3N4O2S and a molecular weight of 310.30 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one
PubChem CID107305118
Molecular FormulaC10H13F3N4O2S
Molecular Weight310.30 g/mol
Exact Mass310.07
IUPAC Name1-morpholin-4-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one
SMILESO=C(CCNc1nc(C(F)(F)F)ns1)N1CCOCC1
InChIInChI=1S/C10H13F3N4O2S/c11-10(12,13)8-15-9(20-16-8)14-2-1-7(18)17-3-5-19-6-4-17/h1-6H2,(H,14,15,16)
InChIKeyDYRPEGNCLXROEV-UHFFFAOYSA-N
XLogP1.22
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one?
The IUPAC name of 1-morpholin-4-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one (CID 107305118) is 1-morpholin-4-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one is O=C(CCNc1nc(C(F)(F)F)ns1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one?
The InChIKey is DYRPEGNCLXROEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O2S/c11-10(12,13)8-15-9(20-16-8)14-2-1-7(18)17-3-5-19-6-4-17/h1-6H2,(H,14,15,16).
What are the key properties of 1-morpholin-4-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one?
1-morpholin-4-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one has a molecular weight of 310.30 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one is sourced from PubChem (CID 107305118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).