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

C13H15N3O2S2 — CID 65270408

IUPAC5-(3-propyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
SMILESCCCc1nsc(N2CCc3sccc3C2C(=O)O)n1
InChIInChI=1S/C13H15N3O2S2/c1-2-3-10-14-13(20-15-10)16-6-4-9-8(5-7-19-9)11(16)12(17)18/h5,7,11H,2-4,6H2,1H3,(H,17,18)
InChIKeyNVUKDJOVWURULT-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.74
Rot. Bonds4

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

5-(3-propyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid (PubChem CID 65270408) has the molecular formula C13H15N3O2S2 and a molecular weight of 309.42 g/mol. Its IUPAC name is 5-(3-propyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-(3-propyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
PubChem CID65270408
Molecular FormulaC13H15N3O2S2
Molecular Weight309.42 g/mol
Exact Mass309.06
IUPAC Name5-(3-propyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
SMILESCCCc1nsc(N2CCc3sccc3C2C(=O)O)n1
InChIInChI=1S/C13H15N3O2S2/c1-2-3-10-14-13(20-15-10)16-6-4-9-8(5-7-19-9)11(16)12(17)18/h5,7,11H,2-4,6H2,1H3,(H,17,18)
InChIKeyNVUKDJOVWURULT-UHFFFAOYSA-N
XLogP2.74
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-propyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
The IUPAC name of 5-(3-propyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid (CID 65270408) is 5-(3-propyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-(3-propyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
The canonical SMILES for 5-(3-propyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid is CCCc1nsc(N2CCc3sccc3C2C(=O)O)n1.
What is the InChIKey of 5-(3-propyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
The InChIKey is NVUKDJOVWURULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S2/c1-2-3-10-14-13(20-15-10)16-6-4-9-8(5-7-19-9)11(16)12(17)18/h5,7,11H,2-4,6H2,1H3,(H,17,18).
What are the key properties of 5-(3-propyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
5-(3-propyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid has a molecular weight of 309.42 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-propyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 65270408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).