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

C8H6N2O3S2 — CID 131001151

IUPAC2-[(2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(Cn2ccsc2=O)n1
InChIInChI=1S/C8H6N2O3S2/c11-7(12)5-4-15-6(9-5)3-10-1-2-14-8(10)13/h1-2,4H,3H2,(H,11,12)
InChIKeyYXVICCOJEUEHJQ-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.11
Rot. Bonds3

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

2-[(2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 131001151) has the molecular formula C8H6N2O3S2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-[(2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID131001151
Molecular FormulaC8H6N2O3S2
Molecular Weight242.28 g/mol
Exact Mass241.98
IUPAC Name2-[(2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(Cn2ccsc2=O)n1
InChIInChI=1S/C8H6N2O3S2/c11-7(12)5-4-15-6(9-5)3-10-1-2-14-8(10)13/h1-2,4H,3H2,(H,11,12)
InChIKeyYXVICCOJEUEHJQ-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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Related Compounds

4-[(2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 63312694
2-[(3,5-dioxo-1,2,4-triazolidin-4-yl)methyl]-1,3-thiazole-4-carboxylic acid
CID 107409527
2-[(2-oxopyrrolidin-1-yl)methyl]-1,3-thiazole-4-carboxylic acid
CID 66378766
2-[(3-ethylazetidin-1-yl)methyl]-1,3-thiazole-4-carboxylic acid
CID 79688727
2-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372883
2-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-thiazole-4-carboxylic acid
CID 146134856
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazole-4-carboxylic acid
CID 39159965
2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxylic acid
CID 39159913
2-[2-(1,2,4-triazol-4-yl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372831
3-[(6-methoxy-2-pyridinyl)methyl]-1,3-thiazol-2-one
CID 115659308
3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-one
CID 115659257
2-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372505

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-4-carboxylic acid (CID 131001151) is 2-[(2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(Cn2ccsc2=O)n1.
What is the InChIKey of 2-[(2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is YXVICCOJEUEHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3S2/c11-7(12)5-4-15-6(9-5)3-10-1-2-14-8(10)13/h1-2,4H,3H2,(H,11,12).
What are the key properties of 2-[(2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-4-carboxylic acid?
2-[(2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-4-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 2-[(2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 131001151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).