2-oxo-4-thiophen-2-yl-3H-1,3-thiazole-5-carboxylic acid

C8H5NO3S2 — CID 83494071

IUPAC2-oxo-4-thiophen-2-yl-3H-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(=O)[nH]c1-c1cccs1
InChIInChI=1S/C8H5NO3S2/c10-7(11)6-5(9-8(12)14-6)4-2-1-3-13-4/h1-3H,(H,9,12)(H,10,11)
InChIKeyXALGWCAZAJHKBC-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.86
Rot. Bonds2

About 2-oxo-4-thiophen-2-yl-3H-1,3-thiazole-5-carboxylic acid

2-oxo-4-thiophen-2-yl-3H-1,3-thiazole-5-carboxylic acid (PubChem CID 83494071) has the molecular formula C8H5NO3S2 and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-oxo-4-thiophen-2-yl-3H-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-oxo-4-thiophen-2-yl-3H-1,3-thiazole-5-carboxylic acid
PubChem CID83494071
Molecular FormulaC8H5NO3S2
Molecular Weight227.27 g/mol
Exact Mass226.97
IUPAC Name2-oxo-4-thiophen-2-yl-3H-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(=O)[nH]c1-c1cccs1
InChIInChI=1S/C8H5NO3S2/c10-7(11)6-5(9-8(12)14-6)4-2-1-3-13-4/h1-3H,(H,9,12)(H,10,11)
InChIKeyXALGWCAZAJHKBC-UHFFFAOYSA-N
XLogP1.86
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-oxo-4-thiophen-2-yl-3H-1,3-thiazol-5-yl) thiocyanate
CID 14183492
4-amino-2-thiophen-2-yl-1H-pyrrole-3-carboxylic acid
CID 82283675
2-thiophen-2-yl-1H-imidazole-5-carboxylic acid
CID 62252826
2-thiophen-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 82276873
2-methyl-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid
CID 53271804
3-thiophen-2-ylfuran-2-carboxylic acid
CID 8893249
4-(4-thiophen-2-ylphenyl)benzoic acid
CID 53472759
2-[(dimethylamino)methyl]-4-thiophen-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227401
2-[(2-thiophen-2-yl-1H-indol-3-yl)sulfanyl]acetic acid
CID 674281
4,6-dimethyl-2-thiophen-2-ylpyrimidine-5-carboxylic acid
CID 62744538
2-bromo-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid
CID 106510216
4,5-dithiophen-2-yl-1,3-dithiol-2-one
CID 15811354

Frequently Asked Questions

What is the IUPAC name of 2-oxo-4-thiophen-2-yl-3H-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-oxo-4-thiophen-2-yl-3H-1,3-thiazole-5-carboxylic acid (CID 83494071) is 2-oxo-4-thiophen-2-yl-3H-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-oxo-4-thiophen-2-yl-3H-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-oxo-4-thiophen-2-yl-3H-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(=O)[nH]c1-c1cccs1.
What is the InChIKey of 2-oxo-4-thiophen-2-yl-3H-1,3-thiazole-5-carboxylic acid?
The InChIKey is XALGWCAZAJHKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO3S2/c10-7(11)6-5(9-8(12)14-6)4-2-1-3-13-4/h1-3H,(H,9,12)(H,10,11).
What are the key properties of 2-oxo-4-thiophen-2-yl-3H-1,3-thiazole-5-carboxylic acid?
2-oxo-4-thiophen-2-yl-3H-1,3-thiazole-5-carboxylic acid has a molecular weight of 227.27 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4-thiophen-2-yl-3H-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 83494071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).