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

C10H13F3N4O2S — CID 99698842

IUPAC(2S)-1-morpholin-4-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propan-1-one
SMILESC[C@H](Nc1nnc(C(F)(F)F)s1)C(=O)N1CCOCC1
InChIInChI=1S/C10H13F3N4O2S/c1-6(7(18)17-2-4-19-5-3-17)14-9-16-15-8(20-9)10(11,12)13/h6H,2-5H2,1H3,(H,14,16)/t6-/m0/s1
InChIKeyYJVYTZHHMJNCOW-LURJTMIESA-N
MW310.30 g/mol
LogP1.22
Rot. Bonds3

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

(2S)-1-morpholin-4-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propan-1-one (PubChem CID 99698842) has the molecular formula C10H13F3N4O2S and a molecular weight of 310.30 g/mol. Its IUPAC name is (2S)-1-morpholin-4-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propan-1-one.

Molecular Properties

Compound Name(2S)-1-morpholin-4-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propan-1-one
PubChem CID99698842
Molecular FormulaC10H13F3N4O2S
Molecular Weight310.30 g/mol
Exact Mass310.07
IUPAC Name(2S)-1-morpholin-4-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propan-1-one
SMILESC[C@H](Nc1nnc(C(F)(F)F)s1)C(=O)N1CCOCC1
InChIInChI=1S/C10H13F3N4O2S/c1-6(7(18)17-2-4-19-5-3-17)14-9-16-15-8(20-9)10(11,12)13/h6H,2-5H2,1H3,(H,14,16)/t6-/m0/s1
InChIKeyYJVYTZHHMJNCOW-LURJTMIESA-N
XLogP1.22
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
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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Related Compounds

1-(5-Methyl-1,3,4-thiadiazol-2-yl)-3-(2-morpholin-4-ylpropyl)urea
CID 45821064
4-morpholino-4-oxo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide
CID 944168
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 27234495
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 27234498
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 27234501
2-(2,6-dimethyl-4-morpholinyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 45596111
3-ethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide
CID 71992779
2-[[5-(Difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one
CID 75436348
5-(propylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617244
5-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617409
5-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617494
N-[2-(3-Methylmorpholin-4-YL)propyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 86799573

Frequently Asked Questions

What is the IUPAC name of (2S)-1-morpholin-4-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propan-1-one?
The IUPAC name of (2S)-1-morpholin-4-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propan-1-one (CID 99698842) is (2S)-1-morpholin-4-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propan-1-one.
What is the SMILES notation for (2S)-1-morpholin-4-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propan-1-one?
The canonical SMILES for (2S)-1-morpholin-4-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propan-1-one is C[C@H](Nc1nnc(C(F)(F)F)s1)C(=O)N1CCOCC1.
What is the InChIKey of (2S)-1-morpholin-4-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propan-1-one?
The InChIKey is YJVYTZHHMJNCOW-LURJTMIESA-N. The full InChI is InChI=1S/C10H13F3N4O2S/c1-6(7(18)17-2-4-19-5-3-17)14-9-16-15-8(20-9)10(11,12)13/h6H,2-5H2,1H3,(H,14,16)/t6-/m0/s1.
What are the key properties of (2S)-1-morpholin-4-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propan-1-one?
(2S)-1-morpholin-4-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propan-1-one has a molecular weight of 310.30 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-morpholin-4-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propan-1-one is sourced from PubChem (CID 99698842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).