5-(methoxymethyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1-phenyltriazole-4-carboxamide

C16H16N6O3S — CID 16651344

IUPAC5-(methoxymethyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1-phenyltriazole-4-carboxamide
SMILESCOCc1c(C(=O)Nc2nc(CC(C)=O)ns2)nnn1-c1ccccc1
InChIInChI=1S/C16H16N6O3S/c1-10(23)8-13-17-16(26-20-13)18-15(24)14-12(9-25-2)22(21-19-14)11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3,(H,17,18,20,24)
InChIKeyBMYYGAVBAUBTBU-UHFFFAOYSA-N
MW372.41 g/mol
LogP1.65
Rot. Bonds7

About 5-(methoxymethyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1-phenyltriazole-4-carboxamide

5-(methoxymethyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1-phenyltriazole-4-carboxamide (PubChem CID 16651344) has the molecular formula C16H16N6O3S and a molecular weight of 372.41 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1-phenyltriazole-4-carboxamide.

Molecular Properties

Compound Name5-(methoxymethyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1-phenyltriazole-4-carboxamide
PubChem CID16651344
Molecular FormulaC16H16N6O3S
Molecular Weight372.41 g/mol
Exact Mass372.10
IUPAC Name5-(methoxymethyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1-phenyltriazole-4-carboxamide
SMILESCOCc1c(C(=O)Nc2nc(CC(C)=O)ns2)nnn1-c1ccccc1
InChIInChI=1S/C16H16N6O3S/c1-10(23)8-13-17-16(26-20-13)18-15(24)14-12(9-25-2)22(21-19-14)11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3,(H,17,18,20,24)
InChIKeyBMYYGAVBAUBTBU-UHFFFAOYSA-N
XLogP1.65
TPSA111.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(2,4-dimethylphenyl)-5-(methoxymethyl)-1-phenyltriazole-4-carboxamide
CID 16651250
N-benzyl-5-(methoxymethyl)-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 16651847
N-(5-benzyl-1,3-thiazol-2-yl)-5-(methoxymethyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 16651642
5-(methoxymethyl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-phenyltriazole-4-carboxamide
CID 16651287
3,4,5-trimethoxy-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 53298075
N-(2-fluorophenyl)-5-(methoxymethyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 16651616
5-(methoxymethyl)-N,1-bis(3-methylphenyl)triazole-4-carboxamide
CID 16651694
5-(methoxymethyl)-N-(2-methylphenyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 16651695
N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]pyridine-4-carboxamide
CID 82121906
5-ethyl-N,1-diphenyltriazole-4-carboxamide
CID 15944220
5-(methoxymethyl)-1-(4-phenoxyphenyl)triazole-4-carboxylic acid
CID 53366312
1-phenyl-5-propyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide
CID 17015603

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1-phenyltriazole-4-carboxamide?
The IUPAC name of 5-(methoxymethyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1-phenyltriazole-4-carboxamide (CID 16651344) is 5-(methoxymethyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1-phenyltriazole-4-carboxamide.
What is the SMILES notation for 5-(methoxymethyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1-phenyltriazole-4-carboxamide?
The canonical SMILES for 5-(methoxymethyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1-phenyltriazole-4-carboxamide is COCc1c(C(=O)Nc2nc(CC(C)=O)ns2)nnn1-c1ccccc1.
What is the InChIKey of 5-(methoxymethyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1-phenyltriazole-4-carboxamide?
The InChIKey is BMYYGAVBAUBTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3S/c1-10(23)8-13-17-16(26-20-13)18-15(24)14-12(9-25-2)22(21-19-14)11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3,(H,17,18,20,24).
What are the key properties of 5-(methoxymethyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1-phenyltriazole-4-carboxamide?
5-(methoxymethyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1-phenyltriazole-4-carboxamide has a molecular weight of 372.41 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1-phenyltriazole-4-carboxamide is sourced from PubChem (CID 16651344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).