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

C8H5NO2S2 — CID 2052628

IUPAC5-(1,3-thiazol-2-yl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2nccs2)s1
InChIInChI=1S/C8H5NO2S2/c10-8(11)6-2-1-5(13-6)7-9-3-4-12-7/h1-4H,(H,10,11)
InChIKeyJOQDQGHUGZODMF-UHFFFAOYSA-N
MW211.27 g/mol
LogP2.57
Rot. Bonds2

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

5-(1,3-thiazol-2-yl)thiophene-2-carboxylic acid (PubChem CID 2052628) has the molecular formula C8H5NO2S2 and a molecular weight of 211.27 g/mol. Its IUPAC name is 5-(1,3-thiazol-2-yl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(1,3-thiazol-2-yl)thiophene-2-carboxylic acid
PubChem CID2052628
Molecular FormulaC8H5NO2S2
Molecular Weight211.27 g/mol
Exact Mass210.98
IUPAC Name5-(1,3-thiazol-2-yl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2nccs2)s1
InChIInChI=1S/C8H5NO2S2/c10-8(11)6-2-1-5(13-6)7-9-3-4-12-7/h1-4H,(H,10,11)
InChIKeyJOQDQGHUGZODMF-UHFFFAOYSA-N
XLogP2.57
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-thiazol-2-yl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(1,3-thiazol-2-yl)thiophene-2-carboxylic acid (CID 2052628) is 5-(1,3-thiazol-2-yl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(1,3-thiazol-2-yl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(1,3-thiazol-2-yl)thiophene-2-carboxylic acid is O=C(O)c1ccc(-c2nccs2)s1.
What is the InChIKey of 5-(1,3-thiazol-2-yl)thiophene-2-carboxylic acid?
The InChIKey is JOQDQGHUGZODMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO2S2/c10-8(11)6-2-1-5(13-6)7-9-3-4-12-7/h1-4H,(H,10,11).
What are the key properties of 5-(1,3-thiazol-2-yl)thiophene-2-carboxylic acid?
5-(1,3-thiazol-2-yl)thiophene-2-carboxylic acid has a molecular weight of 211.27 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-thiazol-2-yl)thiophene-2-carboxylic acid is sourced from PubChem (CID 2052628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).