5-(furan-2-yl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxylic acid

C10H7N5O3S — CID 82221240

IUPAC5-(furan-2-yl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxylic acid
SMILESCc1nnc(-n2nnc(C(=O)O)c2-c2ccco2)s1
InChIInChI=1S/C10H7N5O3S/c1-5-11-13-10(19-5)15-8(6-3-2-4-18-6)7(9(16)17)12-14-15/h2-4H,1H3,(H,16,17)
InChIKeyCZYNACIJXCFIDU-UHFFFAOYSA-N
MW277.27 g/mol
LogP1.39
Rot. Bonds3

About 5-(furan-2-yl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxylic acid

5-(furan-2-yl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxylic acid (PubChem CID 82221240) has the molecular formula C10H7N5O3S and a molecular weight of 277.27 g/mol. Its IUPAC name is 5-(furan-2-yl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(furan-2-yl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxylic acid
PubChem CID82221240
Molecular FormulaC10H7N5O3S
Molecular Weight277.27 g/mol
Exact Mass277.03
IUPAC Name5-(furan-2-yl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxylic acid
SMILESCc1nnc(-n2nnc(C(=O)O)c2-c2ccco2)s1
InChIInChI=1S/C10H7N5O3S/c1-5-11-13-10(19-5)15-8(6-3-2-4-18-6)7(9(16)17)12-14-15/h2-4H,1H3,(H,16,17)
InChIKeyCZYNACIJXCFIDU-UHFFFAOYSA-N
XLogP1.39
TPSA106.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-(2-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxylic acid
CID 82221246
5-(furan-2-yl)-1-(4-hydroxyphenyl)triazole-4-carboxylic acid
CID 82201232
5-(3-aminophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxylic acid
CID 82221255
5-(furan-2-yl)-1-(4-methoxycarbonylphenyl)triazole-4-carboxylic acid
CID 94940392
1-(4-chlorophenyl)-5-(furan-2-yl)triazole-4-carboxylic acid
CID 17015040
1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(2-phenylethyl)triazole-4-carboxylic acid
CID 94962702
1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(thiophen-2-ylmethyl)triazole-4-carboxylic acid
CID 94962700
1-butyl-5-(furan-2-yl)triazole-4-carboxylic acid
CID 82202111
5-(furan-2-yl)-1-[2-(methylamino)-2-oxoethyl]triazole-4-carboxylic acid
CID 82211199
5-(furan-2-yl)-1-[(2-methylphenyl)methyl]triazole-4-carboxylic acid
CID 82202306
2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-phenyltriazol-4-yl]acetic acid
CID 82221408
methyl 5-(furan-2-yl)-2-methyl-1,3-thiazole-4-carboxylate
CID 53271156

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxylic acid?
The IUPAC name of 5-(furan-2-yl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxylic acid (CID 82221240) is 5-(furan-2-yl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxylic acid.
What is the SMILES notation for 5-(furan-2-yl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxylic acid?
The canonical SMILES for 5-(furan-2-yl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxylic acid is Cc1nnc(-n2nnc(C(=O)O)c2-c2ccco2)s1.
What is the InChIKey of 5-(furan-2-yl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxylic acid?
The InChIKey is CZYNACIJXCFIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5O3S/c1-5-11-13-10(19-5)15-8(6-3-2-4-18-6)7(9(16)17)12-14-15/h2-4H,1H3,(H,16,17).
What are the key properties of 5-(furan-2-yl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxylic acid?
5-(furan-2-yl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxylic acid has a molecular weight of 277.27 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxylic acid is sourced from PubChem (CID 82221240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).