4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide

C11H11N3O2S — CID 754071

IUPAC4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nnc(C)s2)cc1
InChIInChI=1S/C11H11N3O2S/c1-7-13-14-11(17-7)12-10(15)8-3-5-9(16-2)6-4-8/h3-6H,1-2H3,(H,12,14,15)
InChIKeyGDUHPESFPOUUSL-UHFFFAOYSA-N
MW249.30 g/mol
LogP2.11
Rot. Bonds3

About 4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide

4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 754071) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID754071
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nnc(C)s2)cc1
InChIInChI=1S/C11H11N3O2S/c1-7-13-14-11(17-7)12-10(15)8-3-5-9(16-2)6-4-8/h3-6H,1-2H3,(H,12,14,15)
InChIKeyGDUHPESFPOUUSL-UHFFFAOYSA-N
XLogP2.11
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 52.11
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
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 1405517
N-{5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl}pentanamide
CID 5925639
4-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 794237
2,4-dimethoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1094111
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)propanamide
CID 2078271
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 2162155
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 3148009
N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 5912559
N-[5-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 24762116
4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 644396

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (CID 754071) is 4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is COc1ccc(C(=O)Nc2nnc(C)s2)cc1.
What is the InChIKey of 4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is GDUHPESFPOUUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-7-13-14-11(17-7)12-10(15)8-3-5-9(16-2)6-4-8/h3-6H,1-2H3,(H,12,14,15).
What are the key properties of 4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 249.30 g/mol, XLogP of 2.11, 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-methyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 754071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).