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

C10H13F3N4O2S — CID 71992779

IUPAC3-ethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide
SMILESCCC1COCCN1C(=O)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C10H13F3N4O2S/c1-2-6-5-19-4-3-17(6)9(18)14-8-16-15-7(20-8)10(11,12)13/h6H,2-5H2,1H3,(H,14,16,18)
InChIKeyVNHBKEGBTHJYKV-UHFFFAOYSA-N
MW310.30 g/mol
LogP2.20
Rot. Bonds2

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

3-ethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide (PubChem CID 71992779) has the molecular formula C10H13F3N4O2S and a molecular weight of 310.30 g/mol. Its IUPAC name is 3-ethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide
PubChem CID71992779
Molecular FormulaC10H13F3N4O2S
Molecular Weight310.30 g/mol
Exact Mass310.07
IUPAC Name3-ethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide
SMILESCCC1COCCN1C(=O)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C10H13F3N4O2S/c1-2-6-5-19-4-3-17(6)9(18)14-8-16-15-7(20-8)10(11,12)13/h6H,2-5H2,1H3,(H,14,16,18)
InChIKeyVNHBKEGBTHJYKV-UHFFFAOYSA-N
XLogP2.20
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-Methyl-1,3,4-thiadiazol-2-yl)-3-(2-morpholin-4-ylpropyl)urea
CID 45821064
N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide
CID 3388566
1-(5-Methyl-1,3,4-thiadiazol-2-yl)-3-[1-(2,2,2-trifluoroethoxy)propan-2-yl]urea
CID 47082318
4-[3-(2,2,2-trifluoroethoxy)propyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide
CID 56473662
3-(2-methylpropyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide
CID 72004385
3-ethoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide
CID 86843885
1-(2-Methoxyethyl)-1-(2-methylpropyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
CID 86987773
1-[3-[2-Methoxyethyl(methyl)amino]propyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
CID 86987774
1-Morpholin-4-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propan-1-one
CID 91636364
1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]urea
CID 94216035
1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]urea
CID 94216036
(3R)-3-(2-methylpropyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide
CID 96352925

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide?
The IUPAC name of 3-ethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide (CID 71992779) is 3-ethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for 3-ethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide?
The canonical SMILES for 3-ethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide is CCC1COCCN1C(=O)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of 3-ethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide?
The InChIKey is VNHBKEGBTHJYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O2S/c1-2-6-5-19-4-3-17(6)9(18)14-8-16-15-7(20-8)10(11,12)13/h6H,2-5H2,1H3,(H,14,16,18).
What are the key properties of 3-ethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide?
3-ethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide has a molecular weight of 310.30 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 71992779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).