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

C14H12N4O3S — CID 68710494

IUPAC5-(4-methoxyphenyl)-4-(2-methyltetrazol-5-yl)thiophene-2-carboxylic acid
SMILESCOc1ccc(-c2sc(C(=O)O)cc2-c2nnn(C)n2)cc1
InChIInChI=1S/C14H12N4O3S/c1-18-16-13(15-17-18)10-7-11(14(19)20)22-12(10)8-3-5-9(21-2)6-4-8/h3-7H,1-2H3,(H,19,20)
InChIKeyNOIZCZXQQVOBHC-UHFFFAOYSA-N
MW316.34 g/mol
LogP2.31
Rot. Bonds4

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

5-(4-methoxyphenyl)-4-(2-methyltetrazol-5-yl)thiophene-2-carboxylic acid (PubChem CID 68710494) has the molecular formula C14H12N4O3S and a molecular weight of 316.34 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-4-(2-methyltetrazol-5-yl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-4-(2-methyltetrazol-5-yl)thiophene-2-carboxylic acid
PubChem CID68710494
Molecular FormulaC14H12N4O3S
Molecular Weight316.34 g/mol
Exact Mass316.06
IUPAC Name5-(4-methoxyphenyl)-4-(2-methyltetrazol-5-yl)thiophene-2-carboxylic acid
SMILESCOc1ccc(-c2sc(C(=O)O)cc2-c2nnn(C)n2)cc1
InChIInChI=1S/C14H12N4O3S/c1-18-16-13(15-17-18)10-7-11(14(19)20)22-12(10)8-3-5-9(21-2)6-4-8/h3-7H,1-2H3,(H,19,20)
InChIKeyNOIZCZXQQVOBHC-UHFFFAOYSA-N
XLogP2.31
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-4-(2-methyltetrazol-5-yl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(4-methoxyphenyl)-4-(2-methyltetrazol-5-yl)thiophene-2-carboxylic acid (CID 68710494) is 5-(4-methoxyphenyl)-4-(2-methyltetrazol-5-yl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(4-methoxyphenyl)-4-(2-methyltetrazol-5-yl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(4-methoxyphenyl)-4-(2-methyltetrazol-5-yl)thiophene-2-carboxylic acid is COc1ccc(-c2sc(C(=O)O)cc2-c2nnn(C)n2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-4-(2-methyltetrazol-5-yl)thiophene-2-carboxylic acid?
The InChIKey is NOIZCZXQQVOBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3S/c1-18-16-13(15-17-18)10-7-11(14(19)20)22-12(10)8-3-5-9(21-2)6-4-8/h3-7H,1-2H3,(H,19,20).
What are the key properties of 5-(4-methoxyphenyl)-4-(2-methyltetrazol-5-yl)thiophene-2-carboxylic acid?
5-(4-methoxyphenyl)-4-(2-methyltetrazol-5-yl)thiophene-2-carboxylic acid has a molecular weight of 316.34 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-4-(2-methyltetrazol-5-yl)thiophene-2-carboxylic acid is sourced from PubChem (CID 68710494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).