1-[(5-chlorothiadiazol-4-yl)methyl]pyridin-2-one

C8H6ClN3OS — CID 43407902

IUPAC1-[(5-chlorothiadiazol-4-yl)methyl]pyridin-2-one
SMILESO=c1ccccn1Cc1nnsc1Cl
InChIInChI=1S/C8H6ClN3OS/c9-8-6(10-11-14-8)5-12-4-2-1-3-7(12)13/h1-4H,5H2
InChIKeyUZMYKFBXFLHMNE-UHFFFAOYSA-N
MW227.68 g/mol
LogP1.40
Rot. Bonds2

About 1-[(5-chlorothiadiazol-4-yl)methyl]pyridin-2-one

1-[(5-chlorothiadiazol-4-yl)methyl]pyridin-2-one (PubChem CID 43407902) has the molecular formula C8H6ClN3OS and a molecular weight of 227.68 g/mol. Its IUPAC name is 1-[(5-chlorothiadiazol-4-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[(5-chlorothiadiazol-4-yl)methyl]pyridin-2-one
PubChem CID43407902
Molecular FormulaC8H6ClN3OS
Molecular Weight227.68 g/mol
Exact Mass226.99
IUPAC Name1-[(5-chlorothiadiazol-4-yl)methyl]pyridin-2-one
SMILESO=c1ccccn1Cc1nnsc1Cl
InChIInChI=1S/C8H6ClN3OS/c9-8-6(10-11-14-8)5-12-4-2-1-3-7(12)13/h1-4H,5H2
InChIKeyUZMYKFBXFLHMNE-UHFFFAOYSA-N
XLogP1.40
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.68
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiadiazol-4-yl)methyl]pyridin-2-one?
The IUPAC name of 1-[(5-chlorothiadiazol-4-yl)methyl]pyridin-2-one (CID 43407902) is 1-[(5-chlorothiadiazol-4-yl)methyl]pyridin-2-one.
What is the SMILES notation for 1-[(5-chlorothiadiazol-4-yl)methyl]pyridin-2-one?
The canonical SMILES for 1-[(5-chlorothiadiazol-4-yl)methyl]pyridin-2-one is O=c1ccccn1Cc1nnsc1Cl.
What is the InChIKey of 1-[(5-chlorothiadiazol-4-yl)methyl]pyridin-2-one?
The InChIKey is UZMYKFBXFLHMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3OS/c9-8-6(10-11-14-8)5-12-4-2-1-3-7(12)13/h1-4H,5H2.
What are the key properties of 1-[(5-chlorothiadiazol-4-yl)methyl]pyridin-2-one?
1-[(5-chlorothiadiazol-4-yl)methyl]pyridin-2-one has a molecular weight of 227.68 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiadiazol-4-yl)methyl]pyridin-2-one is sourced from PubChem (CID 43407902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).