4-[(2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-2-carboxylic acid

C8H6N2O3S2 — CID 63312694

IUPAC4-[(2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(Cn2ccsc2=O)cs1
InChIInChI=1S/C8H6N2O3S2/c11-7(12)6-9-5(4-15-6)3-10-1-2-14-8(10)13/h1-2,4H,3H2,(H,11,12)
InChIKeyOJJDVJURIZPMHO-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.11
Rot. Bonds3

About 4-[(2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-2-carboxylic acid

4-[(2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-2-carboxylic acid (PubChem CID 63312694) has the molecular formula C8H6N2O3S2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-[(2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-2-carboxylic acid
PubChem CID63312694
Molecular FormulaC8H6N2O3S2
Molecular Weight242.28 g/mol
Exact Mass241.98
IUPAC Name4-[(2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(Cn2ccsc2=O)cs1
InChIInChI=1S/C8H6N2O3S2/c11-7(12)6-9-5(4-15-6)3-10-1-2-14-8(10)13/h1-2,4H,3H2,(H,11,12)
InChIKeyOJJDVJURIZPMHO-UHFFFAOYSA-N
XLogP1.11
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-[(2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-2-carboxylic acid (CID 63312694) is 4-[(2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-[(2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-[(2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-2-carboxylic acid is O=C(O)c1nc(Cn2ccsc2=O)cs1.
What is the InChIKey of 4-[(2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-2-carboxylic acid?
The InChIKey is OJJDVJURIZPMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3S2/c11-7(12)6-9-5(4-15-6)3-10-1-2-14-8(10)13/h1-2,4H,3H2,(H,11,12).
What are the key properties of 4-[(2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-2-carboxylic acid?
4-[(2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-2-carboxylic acid has a molecular weight of 242.28 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 63312694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).