6-(5-amino-1,3,4-thiadiazol-2-yl)-5H-thieno[3,2-c]pyridin-4-one

C9H6N4OS2 — CID 12804311

IUPAC6-(5-amino-1,3,4-thiadiazol-2-yl)-5H-thieno[3,2-c]pyridin-4-one
SMILESNc1nnc(-c2cc3sccc3c(=O)[nH]2)s1
InChIInChI=1S/C9H6N4OS2/c10-9-13-12-8(16-9)5-3-6-4(1-2-15-6)7(14)11-5/h1-3H,(H2,10,13)(H,11,14)
InChIKeyIINGTKRVEVBUMU-UHFFFAOYSA-N
MW250.31 g/mol
LogP1.69
Rot. Bonds1

About 6-(5-amino-1,3,4-thiadiazol-2-yl)-5H-thieno[3,2-c]pyridin-4-one

6-(5-amino-1,3,4-thiadiazol-2-yl)-5H-thieno[3,2-c]pyridin-4-one (PubChem CID 12804311) has the molecular formula C9H6N4OS2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 6-(5-amino-1,3,4-thiadiazol-2-yl)-5H-thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name6-(5-amino-1,3,4-thiadiazol-2-yl)-5H-thieno[3,2-c]pyridin-4-one
PubChem CID12804311
Molecular FormulaC9H6N4OS2
Molecular Weight250.31 g/mol
Exact Mass250.00
IUPAC Name6-(5-amino-1,3,4-thiadiazol-2-yl)-5H-thieno[3,2-c]pyridin-4-one
SMILESNc1nnc(-c2cc3sccc3c(=O)[nH]2)s1
InChIInChI=1S/C9H6N4OS2/c10-9-13-12-8(16-9)5-3-6-4(1-2-15-6)7(14)11-5/h1-3H,(H2,10,13)(H,11,14)
InChIKeyIINGTKRVEVBUMU-UHFFFAOYSA-N
XLogP1.69
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-1,3,4-thiadiazol-2-yl)-5H-thieno[3,2-c]pyridin-4-one?
The IUPAC name of 6-(5-amino-1,3,4-thiadiazol-2-yl)-5H-thieno[3,2-c]pyridin-4-one (CID 12804311) is 6-(5-amino-1,3,4-thiadiazol-2-yl)-5H-thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 6-(5-amino-1,3,4-thiadiazol-2-yl)-5H-thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 6-(5-amino-1,3,4-thiadiazol-2-yl)-5H-thieno[3,2-c]pyridin-4-one is Nc1nnc(-c2cc3sccc3c(=O)[nH]2)s1.
What is the InChIKey of 6-(5-amino-1,3,4-thiadiazol-2-yl)-5H-thieno[3,2-c]pyridin-4-one?
The InChIKey is IINGTKRVEVBUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4OS2/c10-9-13-12-8(16-9)5-3-6-4(1-2-15-6)7(14)11-5/h1-3H,(H2,10,13)(H,11,14).
What are the key properties of 6-(5-amino-1,3,4-thiadiazol-2-yl)-5H-thieno[3,2-c]pyridin-4-one?
6-(5-amino-1,3,4-thiadiazol-2-yl)-5H-thieno[3,2-c]pyridin-4-one has a molecular weight of 250.31 g/mol, XLogP of 1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-1,3,4-thiadiazol-2-yl)-5H-thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 12804311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).