5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylic acid

C9H7NO2S2 — CID 614467

IUPAC5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylic acid
SMILESCc1nc(-c2ccc(C(=O)O)s2)cs1
InChIInChI=1S/C9H7NO2S2/c1-5-10-6(4-13-5)7-2-3-8(14-7)9(11)12/h2-4H,1H3,(H,11,12)
InChIKeyAEDWMWQOFJYAGN-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.88
Rot. Bonds2

About 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylic acid

5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylic acid (PubChem CID 614467) has the molecular formula C9H7NO2S2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylic acid
PubChem CID614467
Molecular FormulaC9H7NO2S2
Molecular Weight225.29 g/mol
Exact Mass224.99
IUPAC Name5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylic acid
SMILESCc1nc(-c2ccc(C(=O)O)s2)cs1
InChIInChI=1S/C9H7NO2S2/c1-5-10-6(4-13-5)7-2-3-8(14-7)9(11)12/h2-4H,1H3,(H,11,12)
InChIKeyAEDWMWQOFJYAGN-UHFFFAOYSA-N
XLogP2.88
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylic acid (CID 614467) is 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylic acid is Cc1nc(-c2ccc(C(=O)O)s2)cs1.
What is the InChIKey of 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylic acid?
The InChIKey is AEDWMWQOFJYAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2S2/c1-5-10-6(4-13-5)7-2-3-8(14-7)9(11)12/h2-4H,1H3,(H,11,12).
What are the key properties of 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylic acid?
5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylic acid has a molecular weight of 225.29 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylic acid is sourced from PubChem (CID 614467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).