methyl 2-[2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethoxy]acetate

C8H9F2N3O4S — CID 126807007

IUPACmethyl 2-[2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethoxy]acetate
SMILESCOC(=O)COCC(=O)Nc1nnc(C(F)F)s1
InChIInChI=1S/C8H9F2N3O4S/c1-16-5(15)3-17-2-4(14)11-8-13-12-7(18-8)6(9)10/h6H,2-3H2,1H3,(H,11,13,14)
InChIKeyBBQHZYQUIGCUQR-UHFFFAOYSA-N
MW281.24 g/mol
LogP0.60
Rot. Bonds6

About methyl 2-[2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethoxy]acetate

methyl 2-[2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethoxy]acetate (PubChem CID 126807007) has the molecular formula C8H9F2N3O4S and a molecular weight of 281.24 g/mol. Its IUPAC name is methyl 2-[2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethoxy]acetate
PubChem CID126807007
Molecular FormulaC8H9F2N3O4S
Molecular Weight281.24 g/mol
Exact Mass281.03
IUPAC Namemethyl 2-[2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethoxy]acetate
SMILESCOC(=O)COCC(=O)Nc1nnc(C(F)F)s1
InChIInChI=1S/C8H9F2N3O4S/c1-16-5(15)3-17-2-4(14)11-8-13-12-7(18-8)6(9)10/h6H,2-3H2,1H3,(H,11,13,14)
InChIKeyBBQHZYQUIGCUQR-UHFFFAOYSA-N
XLogP0.60
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethoxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-(methylamino)butanamide
CID 119745205
4-amino-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]pentanamide;hydrochloride
CID 120561104
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(1-hydroxycyclopentyl)acetamide
CID 111537274
N-[2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 47076940
3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea
CID 111926150
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-ynamide
CID 130744096
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-(2,5-dimethylthiophen-3-yl)butanamide
CID 71974093
1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111120642
ethyl 3-oxo-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propanoate
CID 666246
(2R)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-methylsulfanyl-2-(propanoylamino)butanamide
CID 94817188
N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 82176363
N-[5-[1-(4-ethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-methoxyacetamide;formic acid
CID 163338081

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethoxy]acetate?
The IUPAC name of methyl 2-[2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethoxy]acetate (CID 126807007) is methyl 2-[2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethoxy]acetate.
What is the SMILES notation for methyl 2-[2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethoxy]acetate?
The canonical SMILES for methyl 2-[2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethoxy]acetate is COC(=O)COCC(=O)Nc1nnc(C(F)F)s1.
What is the InChIKey of methyl 2-[2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethoxy]acetate?
The InChIKey is BBQHZYQUIGCUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3O4S/c1-16-5(15)3-17-2-4(14)11-8-13-12-7(18-8)6(9)10/h6H,2-3H2,1H3,(H,11,13,14).
What are the key properties of methyl 2-[2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethoxy]acetate?
methyl 2-[2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethoxy]acetate has a molecular weight of 281.24 g/mol, XLogP of 0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethoxy]acetate is sourced from PubChem (CID 126807007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).