5-(methoxymethyl)-1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid

C10H12N6O4S — CID 94946118

IUPAC5-(methoxymethyl)-1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid
SMILESCOCc1c(C(=O)O)nnn1CC(=O)Nc1nnc(C)s1
InChIInChI=1S/C10H12N6O4S/c1-5-12-14-10(21-5)11-7(17)3-16-6(4-20-2)8(9(18)19)13-15-16/h3-4H2,1-2H3,(H,18,19)(H,11,14,17)
InChIKeyOPHMTADMTKUGAV-UHFFFAOYSA-N
MW312.31 g/mol
LogP-0.08
Rot. Bonds6

About 5-(methoxymethyl)-1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid

5-(methoxymethyl)-1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid (PubChem CID 94946118) has the molecular formula C10H12N6O4S and a molecular weight of 312.31 g/mol. Its IUPAC name is 5-(methoxymethyl)-1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(methoxymethyl)-1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid
PubChem CID94946118
Molecular FormulaC10H12N6O4S
Molecular Weight312.31 g/mol
Exact Mass312.06
IUPAC Name5-(methoxymethyl)-1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid
SMILESCOCc1c(C(=O)O)nnn1CC(=O)Nc1nnc(C)s1
InChIInChI=1S/C10H12N6O4S/c1-5-12-14-10(21-5)11-7(17)3-16-6(4-20-2)8(9(18)19)13-15-16/h3-4H2,1-2H3,(H,18,19)(H,11,14,17)
InChIKeyOPHMTADMTKUGAV-UHFFFAOYSA-N
XLogP-0.08
TPSA132.12 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.31
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-(methoxymethyl)-1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid with MolForge

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Related Compounds

1-[2-(benzylamino)-2-oxoethyl]-5-(methoxymethyl)triazole-4-carboxylic acid
CID 82202406
methyl 5-(methoxymethyl)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]triazole-4-carboxylate
CID 102643763
5-(2-methoxyethyl)-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]triazole-4-carboxylic acid
CID 102645880
5-(2-methoxyethyl)-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]triazole-4-carboxylic acid
CID 102645866
5-(methoxymethyl)-1-propyltriazole-4-carboxylic acid
CID 82204864
5-ethyl-1-[2-(2-methoxyethylamino)-2-oxoethyl]triazole-4-carboxylic acid
CID 62059798
5-(methoxymethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxylic acid
CID 102643311
2-[4-(methoxymethyl)piperidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 121091650
1-(4-hydroxybutyl)-5-(methoxymethyl)triazole-4-carboxylic acid
CID 102643264
5-(methoxymethyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]triazole-4-carboxylic acid
CID 82202408
2-[5-(hydroxymethyl)triazol-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 82210964
5-(methoxymethyl)-1-octyltriazole-4-carboxylic acid
CID 102643235

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid?
The IUPAC name of 5-(methoxymethyl)-1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid (CID 94946118) is 5-(methoxymethyl)-1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 5-(methoxymethyl)-1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid?
The canonical SMILES for 5-(methoxymethyl)-1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid is COCc1c(C(=O)O)nnn1CC(=O)Nc1nnc(C)s1.
What is the InChIKey of 5-(methoxymethyl)-1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid?
The InChIKey is OPHMTADMTKUGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O4S/c1-5-12-14-10(21-5)11-7(17)3-16-6(4-20-2)8(9(18)19)13-15-16/h3-4H2,1-2H3,(H,18,19)(H,11,14,17).
What are the key properties of 5-(methoxymethyl)-1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid?
5-(methoxymethyl)-1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid has a molecular weight of 312.31 g/mol, XLogP of -0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 94946118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).