7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid

C10H10N2O2S2 — CID 135319468

IUPAC7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid
SMILESCCc1c(C(=O)O)cnc2nc(SC)sc12
InChIInChI=1S/C10H10N2O2S2/c1-3-5-6(9(13)14)4-11-8-7(5)16-10(12-8)15-2/h4H,3H2,1-2H3,(H,13,14)
InChIKeyMFFZSUFJNCUBDO-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.67
Rot. Bonds3

About 7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid

7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid (PubChem CID 135319468) has the molecular formula C10H10N2O2S2 and a molecular weight of 254.34 g/mol. Its IUPAC name is 7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid
PubChem CID135319468
Molecular FormulaC10H10N2O2S2
Molecular Weight254.34 g/mol
Exact Mass254.02
IUPAC Name7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid
SMILESCCc1c(C(=O)O)cnc2nc(SC)sc12
InChIInChI=1S/C10H10N2O2S2/c1-3-5-6(9(13)14)4-11-8-7(5)16-10(12-8)15-2/h4H,3H2,1-2H3,(H,13,14)
InChIKeyMFFZSUFJNCUBDO-UHFFFAOYSA-N
XLogP2.67
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid?
The IUPAC name of 7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid (CID 135319468) is 7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid?
The canonical SMILES for 7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid is CCc1c(C(=O)O)cnc2nc(SC)sc12.
What is the InChIKey of 7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid?
The InChIKey is MFFZSUFJNCUBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S2/c1-3-5-6(9(13)14)4-11-8-7(5)16-10(12-8)15-2/h4H,3H2,1-2H3,(H,13,14).
What are the key properties of 7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid?
7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid has a molecular weight of 254.34 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 135319468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).