8-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid

C20H14N6O3S2 — CID 59588302

IUPAC8-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESNc1nc2ncc(CNC(=O)c3cccn4c(C(=O)O)c(-c5ccsc5)nc34)cc2s1
InChIInChI=1S/C20H14N6O3S2/c21-20-25-16-13(31-20)6-10(7-22-16)8-23-18(27)12-2-1-4-26-15(19(28)29)14(24-17(12)26)11-3-5-30-9-11/h1-7,9H,8H2,(H,23,27)(H,28,29)(H2,21,22,25)
InChIKeyQTKGDFDUERHTJO-UHFFFAOYSA-N
MW450.51 g/mol
LogP3.28
Rot. Bonds5

About 8-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid

8-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 59588302) has the molecular formula C20H14N6O3S2 and a molecular weight of 450.51 g/mol. Its IUPAC name is 8-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name8-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID59588302
Molecular FormulaC20H14N6O3S2
Molecular Weight450.51 g/mol
Exact Mass450.06
IUPAC Name8-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESNc1nc2ncc(CNC(=O)c3cccn4c(C(=O)O)c(-c5ccsc5)nc34)cc2s1
InChIInChI=1S/C20H14N6O3S2/c21-20-25-16-13(31-20)6-10(7-22-16)8-23-18(27)12-2-1-4-26-15(19(28)29)14(24-17(12)26)11-3-5-30-9-11/h1-7,9H,8H2,(H,23,27)(H,28,29)(H2,21,22,25)
InChIKeyQTKGDFDUERHTJO-UHFFFAOYSA-N
XLogP3.28
TPSA135.50 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 8-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 8-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid (CID 59588302) is 8-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 8-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 8-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid is Nc1nc2ncc(CNC(=O)c3cccn4c(C(=O)O)c(-c5ccsc5)nc34)cc2s1.
What is the InChIKey of 8-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is QTKGDFDUERHTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N6O3S2/c21-20-25-16-13(31-20)6-10(7-22-16)8-23-18(27)12-2-1-4-26-15(19(28)29)14(24-17(12)26)11-3-5-30-9-11/h1-7,9H,8H2,(H,23,27)(H,28,29)(H2,21,22,25).
What are the key properties of 8-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid?
8-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 450.51 g/mol, XLogP of 3.28, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 59588302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).