5-(4-ethyl-1,3-thiazol-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid

C13H14N2O2S2 — CID 55152926

IUPAC5-(4-ethyl-1,3-thiazol-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
SMILESCCc1csc(N2CCc3sccc3C2C(=O)O)n1
InChIInChI=1S/C13H14N2O2S2/c1-2-8-7-19-13(14-8)15-5-3-10-9(4-6-18-10)11(15)12(16)17/h4,6-7,11H,2-3,5H2,1H3,(H,16,17)
InChIKeyLTFGFYMIHXJOTB-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.96
Rot. Bonds3

About 5-(4-ethyl-1,3-thiazol-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid

5-(4-ethyl-1,3-thiazol-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid (PubChem CID 55152926) has the molecular formula C13H14N2O2S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 5-(4-ethyl-1,3-thiazol-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-(4-ethyl-1,3-thiazol-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
PubChem CID55152926
Molecular FormulaC13H14N2O2S2
Molecular Weight294.40 g/mol
Exact Mass294.05
IUPAC Name5-(4-ethyl-1,3-thiazol-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
SMILESCCc1csc(N2CCc3sccc3C2C(=O)O)n1
InChIInChI=1S/C13H14N2O2S2/c1-2-8-7-19-13(14-8)15-5-3-10-9(4-6-18-10)11(15)12(16)17/h4,6-7,11H,2-3,5H2,1H3,(H,16,17)
InChIKeyLTFGFYMIHXJOTB-UHFFFAOYSA-N
XLogP2.96
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethyl-1,3-thiazol-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
The IUPAC name of 5-(4-ethyl-1,3-thiazol-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid (CID 55152926) is 5-(4-ethyl-1,3-thiazol-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-(4-ethyl-1,3-thiazol-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
The canonical SMILES for 5-(4-ethyl-1,3-thiazol-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid is CCc1csc(N2CCc3sccc3C2C(=O)O)n1.
What is the InChIKey of 5-(4-ethyl-1,3-thiazol-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
The InChIKey is LTFGFYMIHXJOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S2/c1-2-8-7-19-13(14-8)15-5-3-10-9(4-6-18-10)11(15)12(16)17/h4,6-7,11H,2-3,5H2,1H3,(H,16,17).
What are the key properties of 5-(4-ethyl-1,3-thiazol-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
5-(4-ethyl-1,3-thiazol-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid has a molecular weight of 294.40 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethyl-1,3-thiazol-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 55152926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).