2-[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-2-oxo-1,3-thiazol-3-yl]acetic acid

C14H10N2O5S — CID 1316094

IUPAC2-[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-2-oxo-1,3-thiazol-3-yl]acetic acid
SMILESCc1ccc2c(c1)=C(c1sc(=O)n(CC(=O)O)c1O)C(=O)N=2
InChIInChI=1S/C14H10N2O5S/c1-6-2-3-8-7(4-6)10(12(19)15-8)11-13(20)16(5-9(17)18)14(21)22-11/h2-4,20H,5H2,1H3,(H,17,18)
InChIKeyKVYHSZTWEOGAQA-UHFFFAOYSA-N
MW318.31 g/mol
LogP-0.63
Rot. Bonds3

About 2-[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-2-oxo-1,3-thiazol-3-yl]acetic acid

2-[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-2-oxo-1,3-thiazol-3-yl]acetic acid (PubChem CID 1316094) has the molecular formula C14H10N2O5S and a molecular weight of 318.31 g/mol. Its IUPAC name is 2-[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-2-oxo-1,3-thiazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-2-oxo-1,3-thiazol-3-yl]acetic acid
PubChem CID1316094
Molecular FormulaC14H10N2O5S
Molecular Weight318.31 g/mol
Exact Mass318.03
IUPAC Name2-[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-2-oxo-1,3-thiazol-3-yl]acetic acid
SMILESCc1ccc2c(c1)=C(c1sc(=O)n(CC(=O)O)c1O)C(=O)N=2
InChIInChI=1S/C14H10N2O5S/c1-6-2-3-8-7(4-6)10(12(19)15-8)11-13(20)16(5-9(17)18)14(21)22-11/h2-4,20H,5H2,1H3,(H,17,18)
InChIKeyKVYHSZTWEOGAQA-UHFFFAOYSA-N
XLogP-0.63
TPSA108.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-2-oxo-1,3-thiazol-3-yl]acetic acid?
The IUPAC name of 2-[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-2-oxo-1,3-thiazol-3-yl]acetic acid (CID 1316094) is 2-[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-2-oxo-1,3-thiazol-3-yl]acetic acid.
What is the SMILES notation for 2-[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-2-oxo-1,3-thiazol-3-yl]acetic acid?
The canonical SMILES for 2-[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-2-oxo-1,3-thiazol-3-yl]acetic acid is Cc1ccc2c(c1)=C(c1sc(=O)n(CC(=O)O)c1O)C(=O)N=2.
What is the InChIKey of 2-[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-2-oxo-1,3-thiazol-3-yl]acetic acid?
The InChIKey is KVYHSZTWEOGAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O5S/c1-6-2-3-8-7(4-6)10(12(19)15-8)11-13(20)16(5-9(17)18)14(21)22-11/h2-4,20H,5H2,1H3,(H,17,18).
What are the key properties of 2-[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-2-oxo-1,3-thiazol-3-yl]acetic acid?
2-[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-2-oxo-1,3-thiazol-3-yl]acetic acid has a molecular weight of 318.31 g/mol, XLogP of -0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-2-oxo-1,3-thiazol-3-yl]acetic acid is sourced from PubChem (CID 1316094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).