2-thiophen-2-yl-1,3-thiazole-4-carboxylic acid

C8H5NO2S2 — CID 2776317

IUPAC2-thiophen-2-yl-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2cccs2)n1
InChIInChI=1S/C8H5NO2S2/c10-8(11)5-4-13-7(9-5)6-2-1-3-12-6/h1-4H,(H,10,11)
InChIKeyFGKCNTGJZXHKFJ-UHFFFAOYSA-N
MW211.27 g/mol
LogP2.57
Rot. Bonds2

About 2-thiophen-2-yl-1,3-thiazole-4-carboxylic acid

2-thiophen-2-yl-1,3-thiazole-4-carboxylic acid (PubChem CID 2776317) has the molecular formula C8H5NO2S2 and a molecular weight of 211.27 g/mol. Its IUPAC name is 2-thiophen-2-yl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-thiophen-2-yl-1,3-thiazole-4-carboxylic acid
PubChem CID2776317
Molecular FormulaC8H5NO2S2
Molecular Weight211.27 g/mol
Exact Mass210.98
IUPAC Name2-thiophen-2-yl-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2cccs2)n1
InChIInChI=1S/C8H5NO2S2/c10-8(11)5-4-13-7(9-5)6-2-1-3-12-6/h1-4H,(H,10,11)
InChIKeyFGKCNTGJZXHKFJ-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 2-thiophen-2-yl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-thiophen-2-yl-1,3-thiazole-4-carboxylic acid (CID 2776317) is 2-thiophen-2-yl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-thiophen-2-yl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-thiophen-2-yl-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(-c2cccs2)n1.
What is the InChIKey of 2-thiophen-2-yl-1,3-thiazole-4-carboxylic acid?
The InChIKey is FGKCNTGJZXHKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO2S2/c10-8(11)5-4-13-7(9-5)6-2-1-3-12-6/h1-4H,(H,10,11).
What are the key properties of 2-thiophen-2-yl-1,3-thiazole-4-carboxylic acid?
2-thiophen-2-yl-1,3-thiazole-4-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 2-thiophen-2-yl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 2776317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).