5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene-2-carboxylic acid

C14H10O2S3 — CID 135215247

IUPAC5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene-2-carboxylic acid
SMILESCc1ccc(-c2ccc(-c3ccc(C(=O)O)s3)s2)s1
InChIInChI=1S/C14H10O2S3/c1-8-2-3-9(17-8)10-4-5-11(18-10)12-6-7-13(19-12)14(15)16/h2-7H,1H3,(H,15,16)
InChIKeyITNNKXAPAMAMIO-UHFFFAOYSA-N
MW306.43 g/mol
LogP5.21
Rot. Bonds3

About 5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene-2-carboxylic acid

5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene-2-carboxylic acid (PubChem CID 135215247) has the molecular formula C14H10O2S3 and a molecular weight of 306.43 g/mol. Its IUPAC name is 5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene-2-carboxylic acid
PubChem CID135215247
Molecular FormulaC14H10O2S3
Molecular Weight306.43 g/mol
Exact Mass305.98
IUPAC Name5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene-2-carboxylic acid
SMILESCc1ccc(-c2ccc(-c3ccc(C(=O)O)s3)s2)s1
InChIInChI=1S/C14H10O2S3/c1-8-2-3-9(17-8)10-4-5-11(18-10)12-6-7-13(19-12)14(15)16/h2-7H,1H3,(H,15,16)
InChIKeyITNNKXAPAMAMIO-UHFFFAOYSA-N
XLogP5.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.43
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-methyl-1,2-thiazol-5-yl)thiophene-2-carboxylic acid
CID 131191331
5-(2,5-dimethyl-1H-imidazol-4-yl)thiophene-2-carboxylic acid
CID 90124228
5-[5-(4-carboxy-3-ethyl-2-methylphenyl)thiophen-2-yl]thiophene-2-carboxylic acid
CID 141257769
ethane;2-methyl-5-(5-methylthiophen-2-yl)thiophene
CID 91463281
5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-2-carboxylic acid
CID 13413513
ethane;5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-carboxylic acid
CID 142287345
thiophene-2,5-dicarboxylic acid;dihydrochloride
CID 68502106
5-[5-(2-ethyl-4-formyl-3-methylphenyl)thiophen-2-yl]thiophene-2-carboxylic acid
CID 141257926
5-[5-(4-carboxycyclopenta-1,3-dien-1-yl)thiophen-2-yl]thiophene-2-carboxylic acid
CID 123326405
tert-butyl 2-bromo-2-methylpropanoate;5-methylthiophene-2-carboxylic acid
CID 161184560
methyl 5-(5-methoxycarbonylthiophen-2-yl)thiophene-2-carboxylate
CID 4072395
5-[5-(2,3-diethyl-4-formylphenyl)thiophen-2-yl]thiophene-2-carboxylic acid
CID 141257831

Frequently Asked Questions

What is the IUPAC name of 5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene-2-carboxylic acid (CID 135215247) is 5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene-2-carboxylic acid is Cc1ccc(-c2ccc(-c3ccc(C(=O)O)s3)s2)s1.
What is the InChIKey of 5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene-2-carboxylic acid?
The InChIKey is ITNNKXAPAMAMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O2S3/c1-8-2-3-9(17-8)10-4-5-11(18-10)12-6-7-13(19-12)14(15)16/h2-7H,1H3,(H,15,16).
What are the key properties of 5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene-2-carboxylic acid?
5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene-2-carboxylic acid has a molecular weight of 306.43 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene-2-carboxylic acid is sourced from PubChem (CID 135215247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).