2-thieno[3,2-b]pyridin-6-yl-1,3-thiazole-5-carboxylic acid

C11H6N2O2S2 — CID 81147844

IUPAC2-thieno[3,2-b]pyridin-6-yl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2cnc3ccsc3c2)s1
InChIInChI=1S/C11H6N2O2S2/c14-11(15)9-5-13-10(17-9)6-3-8-7(12-4-6)1-2-16-8/h1-5H,(H,14,15)
InChIKeyWTBVAVPGSRVYAU-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.12
Rot. Bonds2

About 2-thieno[3,2-b]pyridin-6-yl-1,3-thiazole-5-carboxylic acid

2-thieno[3,2-b]pyridin-6-yl-1,3-thiazole-5-carboxylic acid (PubChem CID 81147844) has the molecular formula C11H6N2O2S2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-thieno[3,2-b]pyridin-6-yl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-thieno[3,2-b]pyridin-6-yl-1,3-thiazole-5-carboxylic acid
PubChem CID81147844
Molecular FormulaC11H6N2O2S2
Molecular Weight262.31 g/mol
Exact Mass261.99
IUPAC Name2-thieno[3,2-b]pyridin-6-yl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2cnc3ccsc3c2)s1
InChIInChI=1S/C11H6N2O2S2/c14-11(15)9-5-13-10(17-9)6-3-8-7(12-4-6)1-2-16-8/h1-5H,(H,14,15)
InChIKeyWTBVAVPGSRVYAU-UHFFFAOYSA-N
XLogP3.12
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-thieno[3,2-b]pyridin-6-yl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-thieno[3,2-b]pyridin-6-yl-1,3-thiazole-5-carboxylic acid (CID 81147844) is 2-thieno[3,2-b]pyridin-6-yl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-thieno[3,2-b]pyridin-6-yl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-thieno[3,2-b]pyridin-6-yl-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(-c2cnc3ccsc3c2)s1.
What is the InChIKey of 2-thieno[3,2-b]pyridin-6-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is WTBVAVPGSRVYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N2O2S2/c14-11(15)9-5-13-10(17-9)6-3-8-7(12-4-6)1-2-16-8/h1-5H,(H,14,15).
What are the key properties of 2-thieno[3,2-b]pyridin-6-yl-1,3-thiazole-5-carboxylic acid?
2-thieno[3,2-b]pyridin-6-yl-1,3-thiazole-5-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thieno[3,2-b]pyridin-6-yl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 81147844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).