N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide

C14H13F4N3O3S — CID 134705610

IUPACN-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide
SMILESCOC(C)c1nnc(NC(=O)c2ccccc2OC(F)(F)C(F)F)s1
InChIInChI=1S/C14H13F4N3O3S/c1-7(23-2)11-20-21-13(25-11)19-10(22)8-5-3-4-6-9(8)24-14(17,18)12(15)16/h3-7,12H,1-2H3,(H,19,21,22)
InChIKeyYOFBSONQXMXERT-UHFFFAOYSA-N
MW379.34 g/mol
LogP3.73
Rot. Bonds7

About N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide

N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide (PubChem CID 134705610) has the molecular formula C14H13F4N3O3S and a molecular weight of 379.34 g/mol. Its IUPAC name is N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide.

Molecular Properties

Compound NameN-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide
PubChem CID134705610
Molecular FormulaC14H13F4N3O3S
Molecular Weight379.34 g/mol
Exact Mass379.06
IUPAC NameN-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide
SMILESCOC(C)c1nnc(NC(=O)c2ccccc2OC(F)(F)C(F)F)s1
InChIInChI=1S/C14H13F4N3O3S/c1-7(23-2)11-20-21-13(25-11)19-10(22)8-5-3-4-6-9(8)24-14(17,18)12(15)16/h3-7,12H,1-2H3,(H,19,21,22)
InChIKeyYOFBSONQXMXERT-UHFFFAOYSA-N
XLogP3.73
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1389058
N-[2-[[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 134706263
2-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1087655
N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide
CID 82176376
2-[(2-chlorophenyl)methoxy]-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 47738998
2-propan-2-ylsulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 17224658
N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide
CID 82176351
N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylbenzamide
CID 134697182
2-benzoyl-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 47799641
N-(3-methylbutan-2-yl)-2-(trifluoromethoxy)benzamide
CID 164554378
2-cyclopropyloxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 167938873
2-methoxy-N-[5-[2-[2-[5-[(2-methoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 3112374

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide?
The IUPAC name of N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide (CID 134705610) is N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide.
What is the SMILES notation for N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide?
The canonical SMILES for N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide is COC(C)c1nnc(NC(=O)c2ccccc2OC(F)(F)C(F)F)s1.
What is the InChIKey of N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide?
The InChIKey is YOFBSONQXMXERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4N3O3S/c1-7(23-2)11-20-21-13(25-11)19-10(22)8-5-3-4-6-9(8)24-14(17,18)12(15)16/h3-7,12H,1-2H3,(H,19,21,22).
What are the key properties of N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide?
N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide has a molecular weight of 379.34 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide is sourced from PubChem (CID 134705610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).