2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one

C12H18F2N4O2S — CID 75436348

IUPAC2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one
SMILESCC(C)C(Nc1nnc(C(F)F)s1)C(=O)N1CCOCC1
InChIInChI=1S/C12H18F2N4O2S/c1-7(2)8(11(19)18-3-5-20-6-4-18)15-12-17-16-10(21-12)9(13)14/h7-9H,3-6H2,1-2H3,(H,15,17)
InChIKeyXWWMPPGAZKWFLU-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.77
Rot. Bonds5

About 2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one

2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one (PubChem CID 75436348) has the molecular formula C12H18F2N4O2S and a molecular weight of 320.37 g/mol. Its IUPAC name is 2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one
PubChem CID75436348
Molecular FormulaC12H18F2N4O2S
Molecular Weight320.37 g/mol
Exact Mass320.11
IUPAC Name2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one
SMILESCC(C)C(Nc1nnc(C(F)F)s1)C(=O)N1CCOCC1
InChIInChI=1S/C12H18F2N4O2S/c1-7(2)8(11(19)18-3-5-20-6-4-18)15-12-17-16-10(21-12)9(13)14/h7-9H,3-6H2,1-2H3,(H,15,17)
InChIKeyXWWMPPGAZKWFLU-UHFFFAOYSA-N
XLogP1.77
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one with MolForge

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Related Compounds

3-oxo-2-propan-2-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide
CID 53627239
3-methyl-2-(3-methylbutanoylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 55830840
2-acetamido-3-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 60424710
1-Morpholin-4-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propan-1-one
CID 91636364
(2R)-3-oxo-2-propan-2-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide
CID 95354560
(2S)-3-oxo-2-propan-2-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide
CID 95354561
(2S)-2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one
CID 97250135
(2R)-2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one
CID 97250136
(2S)-1-morpholin-4-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propan-1-one
CID 99698842
(2R)-1-morpholin-4-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propan-1-one
CID 99698843
N-(2-methoxyethyl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propanamide
CID 114449755
N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-3-carboxamide
CID 119705192

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one?
The IUPAC name of 2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one (CID 75436348) is 2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for 2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one is CC(C)C(Nc1nnc(C(F)F)s1)C(=O)N1CCOCC1.
What is the InChIKey of 2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one?
The InChIKey is XWWMPPGAZKWFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N4O2S/c1-7(2)8(11(19)18-3-5-20-6-4-18)15-12-17-16-10(21-12)9(13)14/h7-9H,3-6H2,1-2H3,(H,15,17).
What are the key properties of 2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one?
2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one has a molecular weight of 320.37 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 75436348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).