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

C14H16N2O2S2 — CID 62071519

IUPAC5-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
SMILESCc1ncsc1CCN1CCc2sccc2C1C(=O)O
InChIInChI=1S/C14H16N2O2S2/c1-9-11(20-8-15-9)2-5-16-6-3-12-10(4-7-19-12)13(16)14(17)18/h4,7-8,13H,2-3,5-6H2,1H3,(H,17,18)
InChIKeyFJKMWRJYALWJFU-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.74
Rot. Bonds4

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

5-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid (PubChem CID 62071519) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 5-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
PubChem CID62071519
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC Name5-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
SMILESCc1ncsc1CCN1CCc2sccc2C1C(=O)O
InChIInChI=1S/C14H16N2O2S2/c1-9-11(20-8-15-9)2-5-16-6-3-12-10(4-7-19-12)13(16)14(17)18/h4,7-8,13H,2-3,5-6H2,1H3,(H,17,18)
InChIKeyFJKMWRJYALWJFU-UHFFFAOYSA-N
XLogP2.74
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
The IUPAC name of 5-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid (CID 62071519) is 5-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
The canonical SMILES for 5-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid is Cc1ncsc1CCN1CCc2sccc2C1C(=O)O.
What is the InChIKey of 5-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
The InChIKey is FJKMWRJYALWJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c1-9-11(20-8-15-9)2-5-16-6-3-12-10(4-7-19-12)13(16)14(17)18/h4,7-8,13H,2-3,5-6H2,1H3,(H,17,18).
What are the key properties of 5-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
5-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid has a molecular weight of 308.43 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 62071519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).