4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide

C11H8F3N3O2S — CID 644396

IUPAC4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2nnc(C(F)(F)F)s2)cc1
InChIInChI=1S/C11H8F3N3O2S/c1-19-7-4-2-6(3-5-7)8(18)15-10-17-16-9(20-10)11(12,13)14/h2-5H,1H3,(H,15,17,18)
InChIKeyYVFRVCROXKXSAL-UHFFFAOYSA-N
MW303.27 g/mol
LogP2.82
Rot. Bonds3

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

4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 644396) has the molecular formula C11H8F3N3O2S and a molecular weight of 303.27 g/mol. Its IUPAC name is 4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID644396
Molecular FormulaC11H8F3N3O2S
Molecular Weight303.27 g/mol
Exact Mass303.03
IUPAC Name4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2nnc(C(F)(F)F)s2)cc1
InChIInChI=1S/C11H8F3N3O2S/c1-19-7-4-2-6(3-5-7)8(18)15-10-17-16-9(20-10)11(12,13)14/h2-5H,1H3,(H,15,17,18)
InChIKeyYVFRVCROXKXSAL-UHFFFAOYSA-N
XLogP2.82
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 747323
N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 777611
4-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 794237
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 3148009
N-(5-Isopropyl-[1,3,4]thiadiazol-2-yl)-3-methoxy-benzamide
CID 648237
3-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 665956
2-fluoro-N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 697520
N-[5-(4-Fluoro-phenyl)-[1,3,4]thiadiazol-2-yl]-2-methoxy-benzamide
CID 741043
4-methoxy-N-(2-propyltetrazol-5-yl)benzamide
CID 900454
N-[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide
CID 1091313
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide
CID 720004
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide
CID 745396

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 644396) is 4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide is COc1ccc(C(=O)Nc2nnc(C(F)(F)F)s2)cc1.
What is the InChIKey of 4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is YVFRVCROXKXSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2S/c1-19-7-4-2-6(3-5-7)8(18)15-10-17-16-9(20-10)11(12,13)14/h2-5H,1H3,(H,15,17,18).
What are the key properties of 4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 303.27 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 644396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).