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

C11H7ClF3N3O2S — CID 800026

IUPAC5-chloro-2-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C11H7ClF3N3O2S/c1-20-7-3-2-5(12)4-6(7)8(19)16-10-18-17-9(21-10)11(13,14)15/h2-4H,1H3,(H,16,18,19)
InChIKeyGQOWLAIZUKOJJK-UHFFFAOYSA-N
MW337.71 g/mol
LogP3.47
Rot. Bonds3

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

5-chloro-2-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 800026) has the molecular formula C11H7ClF3N3O2S and a molecular weight of 337.71 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID800026
Molecular FormulaC11H7ClF3N3O2S
Molecular Weight337.71 g/mol
Exact Mass336.99
IUPAC Name5-chloro-2-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C11H7ClF3N3O2S/c1-20-7-3-2-5(12)4-6(7)8(19)16-10-18-17-9(21-10)11(13,14)15/h2-4H,1H3,(H,16,18,19)
InChIKeyGQOWLAIZUKOJJK-UHFFFAOYSA-N
XLogP3.47
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.71
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-methoxy-N-(2-methyl-2H-tetrazol-5-yl)benzamide
CID 648937
N-[5-(4-Fluoro-phenyl)-[1,3,4]thiadiazol-2-yl]-2-methoxy-benzamide
CID 741043
2-ethoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 750667
2-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 871221
2-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 1500051
5-Chloro-N-(5-ethoxymethyl-[1,3,4]thiadiazol-2-yl)-2-methoxy-benzamide
CID 3158224
2-methoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3999252
5-chloro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide
CID 70681230
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenoxybenzamide
CID 2576449
2-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 695190
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
CID 8414043
5-chloro-2-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 750669

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 800026) is 5-chloro-2-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide is COc1ccc(Cl)cc1C(=O)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of 5-chloro-2-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is GQOWLAIZUKOJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3N3O2S/c1-20-7-3-2-5(12)4-6(7)8(19)16-10-18-17-9(21-10)11(13,14)15/h2-4H,1H3,(H,16,18,19).
What are the key properties of 5-chloro-2-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
5-chloro-2-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 337.71 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 800026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).