4-(difluoromethoxy)-N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]benzamide

C14H16F2N4O2S — CID 134704246

IUPAC4-(difluoromethoxy)-N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]benzamide
SMILESCN(C)CCc1nnc(NC(=O)c2ccc(OC(F)F)cc2)s1
InChIInChI=1S/C14H16F2N4O2S/c1-20(2)8-7-11-18-19-14(23-11)17-12(21)9-3-5-10(6-4-9)22-13(15)16/h3-6,13H,7-8H2,1-2H3,(H,17,19,21)
InChIKeyWILWZWKHCKNAGN-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.50
Rot. Bonds7

About 4-(difluoromethoxy)-N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]benzamide

4-(difluoromethoxy)-N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 134704246) has the molecular formula C14H16F2N4O2S and a molecular weight of 342.37 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID134704246
Molecular FormulaC14H16F2N4O2S
Molecular Weight342.37 g/mol
Exact Mass342.10
IUPAC Name4-(difluoromethoxy)-N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]benzamide
SMILESCN(C)CCc1nnc(NC(=O)c2ccc(OC(F)F)cc2)s1
InChIInChI=1S/C14H16F2N4O2S/c1-20(2)8-7-11-18-19-14(23-11)17-12(21)9-3-5-10(6-4-9)22-13(15)16/h3-6,13H,7-8H2,1-2H3,(H,17,19,21)
InChIKeyWILWZWKHCKNAGN-UHFFFAOYSA-N
XLogP2.50
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(difluoromethoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109400
N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 134711899
4-methoxy-N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3732616
2-[4-(difluoromethoxy)phenyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 34110542
4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 825355
4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)benzamide
CID 31038665
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethoxy)benzamide
CID 26197220
4-(difluoromethoxy)-N-[3-(dimethylamino)propyl]benzamide
CID 14959961
4-methoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 3099855
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(trifluoromethoxy)benzamide
CID 26068513
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(difluoromethylsulfanyl)benzamide
CID 24648203
[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl] acetate
CID 1091095

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]benzamide (CID 134704246) is 4-(difluoromethoxy)-N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]benzamide is CN(C)CCc1nnc(NC(=O)c2ccc(OC(F)F)cc2)s1.
What is the InChIKey of 4-(difluoromethoxy)-N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is WILWZWKHCKNAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O2S/c1-20(2)8-7-11-18-19-14(23-11)17-12(21)9-3-5-10(6-4-9)22-13(15)16/h3-6,13H,7-8H2,1-2H3,(H,17,19,21).
What are the key properties of 4-(difluoromethoxy)-N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]benzamide?
4-(difluoromethoxy)-N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 342.37 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 134704246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).