4-(2,3-difluoro-4-methylphenyl)-2-[2-oxo-2-(2H-tetrazol-5-yl)ethyl]thiophene-3-carboxylic acid

C15H10F2N4O3S — CID 159256051

IUPAC4-(2,3-difluoro-4-methylphenyl)-2-[2-oxo-2-(2H-tetrazol-5-yl)ethyl]thiophene-3-carboxylic acid
SMILESCc1ccc(-c2csc(CC(=O)c3nn[nH]n3)c2C(=O)O)c(F)c1F
InChIInChI=1S/C15H10F2N4O3S/c1-6-2-3-7(13(17)12(6)16)8-5-25-10(11(8)15(23)24)4-9(22)14-18-20-21-19-14/h2-3,5H,4H2,1H3,(H,23,24)(H,18,19,20,21)
InChIKeySZRUVHAGDOKYOF-UHFFFAOYSA-N
MW364.33 g/mol
LogP2.64
Rot. Bonds5

About 4-(2,3-difluoro-4-methylphenyl)-2-[2-oxo-2-(2H-tetrazol-5-yl)ethyl]thiophene-3-carboxylic acid

4-(2,3-difluoro-4-methylphenyl)-2-[2-oxo-2-(2H-tetrazol-5-yl)ethyl]thiophene-3-carboxylic acid (PubChem CID 159256051) has the molecular formula C15H10F2N4O3S and a molecular weight of 364.33 g/mol. Its IUPAC name is 4-(2,3-difluoro-4-methylphenyl)-2-[2-oxo-2-(2H-tetrazol-5-yl)ethyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-(2,3-difluoro-4-methylphenyl)-2-[2-oxo-2-(2H-tetrazol-5-yl)ethyl]thiophene-3-carboxylic acid
PubChem CID159256051
Molecular FormulaC15H10F2N4O3S
Molecular Weight364.33 g/mol
Exact Mass364.04
IUPAC Name4-(2,3-difluoro-4-methylphenyl)-2-[2-oxo-2-(2H-tetrazol-5-yl)ethyl]thiophene-3-carboxylic acid
SMILESCc1ccc(-c2csc(CC(=O)c3nn[nH]n3)c2C(=O)O)c(F)c1F
InChIInChI=1S/C15H10F2N4O3S/c1-6-2-3-7(13(17)12(6)16)8-5-25-10(11(8)15(23)24)4-9(22)14-18-20-21-19-14/h2-3,5H,4H2,1H3,(H,23,24)(H,18,19,20,21)
InChIKeySZRUVHAGDOKYOF-UHFFFAOYSA-N
XLogP2.64
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(2,3-difluoro-4-methylphenyl)-2-[2-oxo-2-(2H-tetrazol-5-yl)ethyl]thiophene-3-carboxylic acid with MolForge

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Related Compounds

3-[4-[(4-fluorophenyl)methyl]thiophen-3-yl]-3-hydroxy-1-(2H-tetrazol-5-yl)prop-2-en-1-one
CID 69138653
3-[4-[(3-fluorophenyl)methyl]thiophen-3-yl]-3-hydroxy-1-(2H-tetrazol-5-yl)prop-2-en-1-one
CID 69139782
3-[4-[(2-fluorophenyl)methyl]thiophen-3-yl]-3-hydroxy-1-(2H-tetrazol-5-yl)prop-2-en-1-one
CID 69140525
4-(2,3-difluoro-4-methylphenyl)-2-[2-oxo-2-(3H-1,2,4-triazol-5-yl)ethyl]thiophene-3-carboxylic acid
CID 161466659
3-hydroxy-3-[4-[(4-methylphenyl)methyl]thiophen-3-yl]-1-(2H-tetrazol-5-yl)prop-2-en-1-one
CID 69138468
3-[5-[(4-acetylphenyl)methyl]thiophen-3-yl]-3-hydroxy-1-(2H-tetrazol-5-yl)prop-2-en-1-one
CID 69140083
3-[4-[(4-acetylphenyl)methyl]thiophen-3-yl]-3-hydroxy-1-(2H-tetrazol-5-yl)prop-2-en-1-one
CID 69140672
3-[2-[(4-acetylphenyl)methyl]thiophen-3-yl]-3-hydroxy-1-(2H-tetrazol-5-yl)prop-2-en-1-one
CID 69140742
5-[2-methyl-6-(2H-tetrazol-5-ylmethyl)phenyl]thiophene-2-carboxylic acid
CID 178943266

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluoro-4-methylphenyl)-2-[2-oxo-2-(2H-tetrazol-5-yl)ethyl]thiophene-3-carboxylic acid?
The IUPAC name of 4-(2,3-difluoro-4-methylphenyl)-2-[2-oxo-2-(2H-tetrazol-5-yl)ethyl]thiophene-3-carboxylic acid (CID 159256051) is 4-(2,3-difluoro-4-methylphenyl)-2-[2-oxo-2-(2H-tetrazol-5-yl)ethyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 4-(2,3-difluoro-4-methylphenyl)-2-[2-oxo-2-(2H-tetrazol-5-yl)ethyl]thiophene-3-carboxylic acid?
The canonical SMILES for 4-(2,3-difluoro-4-methylphenyl)-2-[2-oxo-2-(2H-tetrazol-5-yl)ethyl]thiophene-3-carboxylic acid is Cc1ccc(-c2csc(CC(=O)c3nn[nH]n3)c2C(=O)O)c(F)c1F.
What is the InChIKey of 4-(2,3-difluoro-4-methylphenyl)-2-[2-oxo-2-(2H-tetrazol-5-yl)ethyl]thiophene-3-carboxylic acid?
The InChIKey is SZRUVHAGDOKYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N4O3S/c1-6-2-3-7(13(17)12(6)16)8-5-25-10(11(8)15(23)24)4-9(22)14-18-20-21-19-14/h2-3,5H,4H2,1H3,(H,23,24)(H,18,19,20,21).
What are the key properties of 4-(2,3-difluoro-4-methylphenyl)-2-[2-oxo-2-(2H-tetrazol-5-yl)ethyl]thiophene-3-carboxylic acid?
4-(2,3-difluoro-4-methylphenyl)-2-[2-oxo-2-(2H-tetrazol-5-yl)ethyl]thiophene-3-carboxylic acid has a molecular weight of 364.33 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluoro-4-methylphenyl)-2-[2-oxo-2-(2H-tetrazol-5-yl)ethyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 159256051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).