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

C8H5NO2S2 — CID 21075103

IUPAC4-thiophen-2-yl-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(-c2cccs2)cs1
InChIInChI=1S/C8H5NO2S2/c10-8(11)7-9-5(4-13-7)6-2-1-3-12-6/h1-4H,(H,10,11)
InChIKeyYOPZXZBRLUDDIY-UHFFFAOYSA-N
MW211.27 g/mol
LogP2.57
Rot. Bonds2

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

4-thiophen-2-yl-1,3-thiazole-2-carboxylic acid (PubChem CID 21075103) has the molecular formula C8H5NO2S2 and a molecular weight of 211.27 g/mol. Its IUPAC name is 4-thiophen-2-yl-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-thiophen-2-yl-1,3-thiazole-2-carboxylic acid
PubChem CID21075103
Molecular FormulaC8H5NO2S2
Molecular Weight211.27 g/mol
Exact Mass210.98
IUPAC Name4-thiophen-2-yl-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(-c2cccs2)cs1
InChIInChI=1S/C8H5NO2S2/c10-8(11)7-9-5(4-13-7)6-2-1-3-12-6/h1-4H,(H,10,11)
InChIKeyYOPZXZBRLUDDIY-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 4-thiophen-2-yl-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-thiophen-2-yl-1,3-thiazole-2-carboxylic acid (CID 21075103) is 4-thiophen-2-yl-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-thiophen-2-yl-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-thiophen-2-yl-1,3-thiazole-2-carboxylic acid is O=C(O)c1nc(-c2cccs2)cs1.
What is the InChIKey of 4-thiophen-2-yl-1,3-thiazole-2-carboxylic acid?
The InChIKey is YOPZXZBRLUDDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO2S2/c10-8(11)7-9-5(4-13-7)6-2-1-3-12-6/h1-4H,(H,10,11).
What are the key properties of 4-thiophen-2-yl-1,3-thiazole-2-carboxylic acid?
4-thiophen-2-yl-1,3-thiazole-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 4-thiophen-2-yl-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 21075103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).