3-cyano-N-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]benzamide

C12H10N4O2S — CID 75503403

IUPAC3-cyano-N-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]benzamide
SMILESCOCc1nsc(NC(=O)c2cccc(C#N)c2)n1
InChIInChI=1S/C12H10N4O2S/c1-18-7-10-14-12(19-16-10)15-11(17)9-4-2-3-8(5-9)6-13/h2-5H,7H2,1H3,(H,14,15,16,17)
InChIKeyNFCFGEQWPLRDCS-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.81
Rot. Bonds4

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

3-cyano-N-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]benzamide (PubChem CID 75503403) has the molecular formula C12H10N4O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is 3-cyano-N-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]benzamide
PubChem CID75503403
Molecular FormulaC12H10N4O2S
Molecular Weight274.31 g/mol
Exact Mass274.05
IUPAC Name3-cyano-N-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]benzamide
SMILESCOCc1nsc(NC(=O)c2cccc(C#N)c2)n1
InChIInChI=1S/C12H10N4O2S/c1-18-7-10-14-12(19-16-10)15-11(17)9-4-2-3-8(5-9)6-13/h2-5H,7H2,1H3,(H,14,15,16,17)
InChIKeyNFCFGEQWPLRDCS-UHFFFAOYSA-N
XLogP1.81
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 7770854
3-cyano-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 7733305
3-cyano-N-(2-methoxyethyl)benzamide
CID 24698142
methyl 5-[(3-cyanobenzoyl)amino]thiophene-3-carboxylate
CID 71969727
3-cyano-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzamide
CID 122302755
5-(3-cyanophenyl)-N-(3-propoxy-1,2,4-thiadiazol-5-yl)furan-3-carboxamide
CID 175161167
3-cyano-N-[6-(2-methoxyethoxy)-3-pyridinyl]benzamide
CID 43069880
N-(5-amino-1,3,4-thiadiazol-2-yl)-3-cyanobenzamide
CID 79512579
3-cyano-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 2635787
3-cyano-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 7948158
N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-cyanobenzamide
CID 9050215
3-cyano-N-(3-methoxyphenyl)benzamide
CID 2709744

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]benzamide?
The IUPAC name of 3-cyano-N-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]benzamide (CID 75503403) is 3-cyano-N-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]benzamide?
The canonical SMILES for 3-cyano-N-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]benzamide is COCc1nsc(NC(=O)c2cccc(C#N)c2)n1.
What is the InChIKey of 3-cyano-N-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]benzamide?
The InChIKey is NFCFGEQWPLRDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2S/c1-18-7-10-14-12(19-16-10)15-11(17)9-4-2-3-8(5-9)6-13/h2-5H,7H2,1H3,(H,14,15,16,17).
What are the key properties of 3-cyano-N-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]benzamide?
3-cyano-N-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]benzamide has a molecular weight of 274.31 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]benzamide is sourced from PubChem (CID 75503403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).