3-hydroxy-4-methyl-5-[6-(methylsulfonylmethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxylic acid

C15H14N2O5S2 — CID 67430486

IUPAC3-hydroxy-4-methyl-5-[6-(methylsulfonylmethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxylic acid
SMILESCc1c(-c2cnc3ccc(CS(C)(=O)=O)cn23)sc(C(=O)O)c1O
InChIInChI=1S/C15H14N2O5S2/c1-8-12(18)14(15(19)20)23-13(8)10-5-16-11-4-3-9(6-17(10)11)7-24(2,21)22/h3-6,18H,7H2,1-2H3,(H,19,20)
InChIKeySTYOGVRZXYYCDC-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.32
Rot. Bonds4

About 3-hydroxy-4-methyl-5-[6-(methylsulfonylmethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxylic acid

3-hydroxy-4-methyl-5-[6-(methylsulfonylmethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxylic acid (PubChem CID 67430486) has the molecular formula C15H14N2O5S2 and a molecular weight of 366.42 g/mol. Its IUPAC name is 3-hydroxy-4-methyl-5-[6-(methylsulfonylmethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-4-methyl-5-[6-(methylsulfonylmethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxylic acid
PubChem CID67430486
Molecular FormulaC15H14N2O5S2
Molecular Weight366.42 g/mol
Exact Mass366.03
IUPAC Name3-hydroxy-4-methyl-5-[6-(methylsulfonylmethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxylic acid
SMILESCc1c(-c2cnc3ccc(CS(C)(=O)=O)cn23)sc(C(=O)O)c1O
InChIInChI=1S/C15H14N2O5S2/c1-8-12(18)14(15(19)20)23-13(8)10-5-16-11-4-3-9(6-17(10)11)7-24(2,21)22/h3-6,18H,7H2,1-2H3,(H,19,20)
InChIKeySTYOGVRZXYYCDC-UHFFFAOYSA-N
XLogP2.32
TPSA108.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methyl-5-[6-(methylsulfonylmethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxylic acid?
The IUPAC name of 3-hydroxy-4-methyl-5-[6-(methylsulfonylmethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxylic acid (CID 67430486) is 3-hydroxy-4-methyl-5-[6-(methylsulfonylmethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-4-methyl-5-[6-(methylsulfonylmethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-4-methyl-5-[6-(methylsulfonylmethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxylic acid is Cc1c(-c2cnc3ccc(CS(C)(=O)=O)cn23)sc(C(=O)O)c1O.
What is the InChIKey of 3-hydroxy-4-methyl-5-[6-(methylsulfonylmethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxylic acid?
The InChIKey is STYOGVRZXYYCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5S2/c1-8-12(18)14(15(19)20)23-13(8)10-5-16-11-4-3-9(6-17(10)11)7-24(2,21)22/h3-6,18H,7H2,1-2H3,(H,19,20).
What are the key properties of 3-hydroxy-4-methyl-5-[6-(methylsulfonylmethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxylic acid?
3-hydroxy-4-methyl-5-[6-(methylsulfonylmethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxylic acid has a molecular weight of 366.42 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methyl-5-[6-(methylsulfonylmethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxylic acid is sourced from PubChem (CID 67430486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).