5-(2-methoxyphenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid

C13H10N4O3S — CID 68709473

IUPAC5-(2-methoxyphenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid
SMILESCOc1ccccc1-c1sc(C(=O)O)cc1-c1nn[nH]n1
InChIInChI=1S/C13H10N4O3S/c1-20-9-5-3-2-4-7(9)11-8(12-14-16-17-15-12)6-10(21-11)13(18)19/h2-6H,1H3,(H,18,19)(H,14,15,16,17)
InChIKeyQZRMOCGZVTYBKR-UHFFFAOYSA-N
MW302.32 g/mol
LogP2.30
Rot. Bonds4

About 5-(2-methoxyphenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid

5-(2-methoxyphenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid (PubChem CID 68709473) has the molecular formula C13H10N4O3S and a molecular weight of 302.32 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid
PubChem CID68709473
Molecular FormulaC13H10N4O3S
Molecular Weight302.32 g/mol
Exact Mass302.05
IUPAC Name5-(2-methoxyphenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid
SMILESCOc1ccccc1-c1sc(C(=O)O)cc1-c1nn[nH]n1
InChIInChI=1S/C13H10N4O3S/c1-20-9-5-3-2-4-7(9)11-8(12-14-16-17-15-12)6-10(21-11)13(18)19/h2-6H,1H3,(H,18,19)(H,14,15,16,17)
InChIKeyQZRMOCGZVTYBKR-UHFFFAOYSA-N
XLogP2.30
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-fluorophenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid
CID 11846375
5-(3-fluorophenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid
CID 68705656
ethyl 5-(3-fluorophenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylate
CID 68709061
ethyl 5-(4-fluorophenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylate
CID 68710748
5-(4-fluorophenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid
CID 68711588
5-(4-methoxyphenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid
CID 11846376
5-(4-Methoxyphenyl)-4-(1-methyltetrazol-5-yl)thiophene-2-carboxylic acid
CID 11846377
ethyl 3-[2-(3-ethoxycarbonyl-5-hydroxyphenyl)-5-(2H-tetrazol-5-yl)thiophen-3-yl]-5-hydroxybenzoate
CID 60198073
5-(3-Methoxyphenyl)-4-(1-methyltetrazol-5-yl)thiophene-2-carboxylic acid
CID 68707209
5-(3-methoxyphenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid
CID 68707850
5-(3-Methoxyphenyl)-4-(2-methyltetrazol-5-yl)thiophene-2-carboxylic acid
CID 68709064
5-(4-Methoxyphenyl)-4-(2-methyltetrazol-5-yl)thiophene-2-carboxylic acid
CID 68710494

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(2-methoxyphenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid (CID 68709473) is 5-(2-methoxyphenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(2-methoxyphenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(2-methoxyphenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid is COc1ccccc1-c1sc(C(=O)O)cc1-c1nn[nH]n1.
What is the InChIKey of 5-(2-methoxyphenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid?
The InChIKey is QZRMOCGZVTYBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O3S/c1-20-9-5-3-2-4-7(9)11-8(12-14-16-17-15-12)6-10(21-11)13(18)19/h2-6H,1H3,(H,18,19)(H,14,15,16,17).
What are the key properties of 5-(2-methoxyphenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid?
5-(2-methoxyphenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid has a molecular weight of 302.32 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid is sourced from PubChem (CID 68709473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).