4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]thieno[3,2-b]pyridin-7-one

C11H9N3OS3 — CID 99774556

IUPAC4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]thieno[3,2-b]pyridin-7-one
SMILESCSc1nnc(Cn2ccc(=O)c3sccc32)s1
InChIInChI=1S/C11H9N3OS3/c1-16-11-13-12-9(18-11)6-14-4-2-8(15)10-7(14)3-5-17-10/h2-5H,6H2,1H3
InChIKeyZTMODOWICIJQPG-UHFFFAOYSA-N
MW295.41 g/mol
LogP2.68
Rot. Bonds3

About 4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]thieno[3,2-b]pyridin-7-one

4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]thieno[3,2-b]pyridin-7-one (PubChem CID 99774556) has the molecular formula C11H9N3OS3 and a molecular weight of 295.41 g/mol. Its IUPAC name is 4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]thieno[3,2-b]pyridin-7-one.

Molecular Properties

Compound Name4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]thieno[3,2-b]pyridin-7-one
PubChem CID99774556
Molecular FormulaC11H9N3OS3
Molecular Weight295.41 g/mol
Exact Mass294.99
IUPAC Name4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]thieno[3,2-b]pyridin-7-one
SMILESCSc1nnc(Cn2ccc(=O)c3sccc32)s1
InChIInChI=1S/C11H9N3OS3/c1-16-11-13-12-9(18-11)6-14-4-2-8(15)10-7(14)3-5-17-10/h2-5H,6H2,1H3
InChIKeyZTMODOWICIJQPG-UHFFFAOYSA-N
XLogP2.68
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]thieno[3,2-b]pyridin-7-one?
The IUPAC name of 4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]thieno[3,2-b]pyridin-7-one (CID 99774556) is 4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]thieno[3,2-b]pyridin-7-one.
What is the SMILES notation for 4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]thieno[3,2-b]pyridin-7-one?
The canonical SMILES for 4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]thieno[3,2-b]pyridin-7-one is CSc1nnc(Cn2ccc(=O)c3sccc32)s1.
What is the InChIKey of 4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]thieno[3,2-b]pyridin-7-one?
The InChIKey is ZTMODOWICIJQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3OS3/c1-16-11-13-12-9(18-11)6-14-4-2-8(15)10-7(14)3-5-17-10/h2-5H,6H2,1H3.
What are the key properties of 4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]thieno[3,2-b]pyridin-7-one?
4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]thieno[3,2-b]pyridin-7-one has a molecular weight of 295.41 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]thieno[3,2-b]pyridin-7-one is sourced from PubChem (CID 99774556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).