3-methoxy-N-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide

C17H13N5O2S — CID 5162115

IUPAC3-methoxy-N-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(-c3nn4cnnc4s3)cc2)c1
InChIInChI=1S/C17H13N5O2S/c1-24-14-4-2-3-12(9-14)15(23)19-13-7-5-11(6-8-13)16-21-22-10-18-20-17(22)25-16/h2-10H,1H3,(H,19,23)
InChIKeyUTSOVQIJPNGDJY-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.11
Rot. Bonds4

About 3-methoxy-N-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide

3-methoxy-N-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide (PubChem CID 5162115) has the molecular formula C17H13N5O2S and a molecular weight of 351.39 g/mol. Its IUPAC name is 3-methoxy-N-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
PubChem CID5162115
Molecular FormulaC17H13N5O2S
Molecular Weight351.39 g/mol
Exact Mass351.08
IUPAC Name3-methoxy-N-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(-c3nn4cnnc4s3)cc2)c1
InChIInChI=1S/C17H13N5O2S/c1-24-14-4-2-3-12(9-14)15(23)19-13-7-5-11(6-8-13)16-21-22-10-18-20-17(22)25-16/h2-10H,1H3,(H,19,23)
InChIKeyUTSOVQIJPNGDJY-UHFFFAOYSA-N
XLogP3.11
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-dimethoxy-N-[[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]benzamide
CID 4032843
3-methoxy-N-[4-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
CID 17219626
3-methoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 1102694
2,3,4,5,6-pentafluoro-N-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
CID 17219634
5-(3-chlorophenyl)-N-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]furan-2-carboxamide
CID 5032752
3,4-dimethyl-N-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
CID 3638789
N-[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-3-propoxybenzamide
CID 5222492
2,5-dichloro-N-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
CID 4679677
N-(4-aminophenyl)-3-methoxybenzamide
CID 8566724
3-methoxy-N-[2-methyl-4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
CID 4308386
3-butoxy-N-[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
CID 5025664
3-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]benzamide
CID 38779477

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide?
The IUPAC name of 3-methoxy-N-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide (CID 5162115) is 3-methoxy-N-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide?
The canonical SMILES for 3-methoxy-N-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide is COc1cccc(C(=O)Nc2ccc(-c3nn4cnnc4s3)cc2)c1.
What is the InChIKey of 3-methoxy-N-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide?
The InChIKey is UTSOVQIJPNGDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2S/c1-24-14-4-2-3-12(9-14)15(23)19-13-7-5-11(6-8-13)16-21-22-10-18-20-17(22)25-16/h2-10H,1H3,(H,19,23).
What are the key properties of 3-methoxy-N-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide?
3-methoxy-N-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide has a molecular weight of 351.39 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide is sourced from PubChem (CID 5162115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).