5-methoxycarbonyl-4-(2-methyltetrazol-5-yl)thiophene-2-carboxylic acid

C9H8N4O4S — CID 68711963

IUPAC5-methoxycarbonyl-4-(2-methyltetrazol-5-yl)thiophene-2-carboxylic acid
SMILESCOC(=O)c1sc(C(=O)O)cc1-c1nnn(C)n1
InChIInChI=1S/C9H8N4O4S/c1-13-11-7(10-12-13)4-3-5(8(14)15)18-6(4)9(16)17-2/h3H,1-2H3,(H,14,15)
InChIKeyNBHYPVISCZNRHU-UHFFFAOYSA-N
MW268.25 g/mol
LogP0.42
Rot. Bonds3

About 5-methoxycarbonyl-4-(2-methyltetrazol-5-yl)thiophene-2-carboxylic acid

5-methoxycarbonyl-4-(2-methyltetrazol-5-yl)thiophene-2-carboxylic acid (PubChem CID 68711963) has the molecular formula C9H8N4O4S and a molecular weight of 268.25 g/mol. Its IUPAC name is 5-methoxycarbonyl-4-(2-methyltetrazol-5-yl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-methoxycarbonyl-4-(2-methyltetrazol-5-yl)thiophene-2-carboxylic acid
PubChem CID68711963
Molecular FormulaC9H8N4O4S
Molecular Weight268.25 g/mol
Exact Mass268.03
IUPAC Name5-methoxycarbonyl-4-(2-methyltetrazol-5-yl)thiophene-2-carboxylic acid
SMILESCOC(=O)c1sc(C(=O)O)cc1-c1nnn(C)n1
InChIInChI=1S/C9H8N4O4S/c1-13-11-7(10-12-13)4-3-5(8(14)15)18-6(4)9(16)17-2/h3H,1-2H3,(H,14,15)
InChIKeyNBHYPVISCZNRHU-UHFFFAOYSA-N
XLogP0.42
TPSA107.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 3-[5-(3-methoxycarbonylphenyl)-4-(2-methyltetrazol-5-yl)thiophen-2-yl]benzoate
CID 68711470
4-amino-2-(2-methyltetrazol-5-yl)benzoic acid
CID 28643101
methyl 2-methyltetrazole-5-carboxylate
CID 15098928
3-(2-methyltetrazol-5-yl)-4-[4-(trifluoromethyl)anilino]benzoic acid
CID 138682279
5-methoxycarbonyl-4-sulfamoylthiophene-2-carboxylic acid
CID 139663921
5-(2-methyltetrazol-5-yl)-1,3-thiazole-4-carboxylic acid
CID 164653809
5-(3,5-dichlorophenyl)-2-methyltetrazole
CID 2730559
2-[[4-(2-methyltetrazol-5-yl)phenyl]sulfinyloxyamino]propanoic acid
CID 54174212
3,5-dimethoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide
CID 931341
hydrazine;5-methoxycarbonylthiophene-2-carboxylic acid
CID 159424463
3-tert-butylthiophene-2,5-dicarboxylic acid
CID 19860161
methyl 1-[3-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]propyl]-1,2,4-triazole-3-carboxylate
CID 22103391

Frequently Asked Questions

What is the IUPAC name of 5-methoxycarbonyl-4-(2-methyltetrazol-5-yl)thiophene-2-carboxylic acid?
The IUPAC name of 5-methoxycarbonyl-4-(2-methyltetrazol-5-yl)thiophene-2-carboxylic acid (CID 68711963) is 5-methoxycarbonyl-4-(2-methyltetrazol-5-yl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-methoxycarbonyl-4-(2-methyltetrazol-5-yl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-methoxycarbonyl-4-(2-methyltetrazol-5-yl)thiophene-2-carboxylic acid is COC(=O)c1sc(C(=O)O)cc1-c1nnn(C)n1.
What is the InChIKey of 5-methoxycarbonyl-4-(2-methyltetrazol-5-yl)thiophene-2-carboxylic acid?
The InChIKey is NBHYPVISCZNRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O4S/c1-13-11-7(10-12-13)4-3-5(8(14)15)18-6(4)9(16)17-2/h3H,1-2H3,(H,14,15).
What are the key properties of 5-methoxycarbonyl-4-(2-methyltetrazol-5-yl)thiophene-2-carboxylic acid?
5-methoxycarbonyl-4-(2-methyltetrazol-5-yl)thiophene-2-carboxylic acid has a molecular weight of 268.25 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxycarbonyl-4-(2-methyltetrazol-5-yl)thiophene-2-carboxylic acid is sourced from PubChem (CID 68711963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).