1-(1,3-thiazol-2-ylmethyl)pyridin-4-one

C9H8N2OS — CID 116622336

IUPAC1-(1,3-thiazol-2-ylmethyl)pyridin-4-one
SMILESO=c1ccn(Cc2nccs2)cc1
InChIInChI=1S/C9H8N2OS/c12-8-1-4-11(5-2-8)7-9-10-3-6-13-9/h1-6H,7H2
InChIKeyLDMJTHKRVRBUCG-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.35
Rot. Bonds2

About 1-(1,3-thiazol-2-ylmethyl)pyridin-4-one

1-(1,3-thiazol-2-ylmethyl)pyridin-4-one (PubChem CID 116622336) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-ylmethyl)pyridin-4-one.

Molecular Properties

Compound Name1-(1,3-thiazol-2-ylmethyl)pyridin-4-one
PubChem CID116622336
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name1-(1,3-thiazol-2-ylmethyl)pyridin-4-one
SMILESO=c1ccn(Cc2nccs2)cc1
InChIInChI=1S/C9H8N2OS/c12-8-1-4-11(5-2-8)7-9-10-3-6-13-9/h1-6H,7H2
InChIKeyLDMJTHKRVRBUCG-UHFFFAOYSA-N
XLogP1.35
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-ylmethyl)pyridin-4-one?
The IUPAC name of 1-(1,3-thiazol-2-ylmethyl)pyridin-4-one (CID 116622336) is 1-(1,3-thiazol-2-ylmethyl)pyridin-4-one.
What is the SMILES notation for 1-(1,3-thiazol-2-ylmethyl)pyridin-4-one?
The canonical SMILES for 1-(1,3-thiazol-2-ylmethyl)pyridin-4-one is O=c1ccn(Cc2nccs2)cc1.
What is the InChIKey of 1-(1,3-thiazol-2-ylmethyl)pyridin-4-one?
The InChIKey is LDMJTHKRVRBUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c12-8-1-4-11(5-2-8)7-9-10-3-6-13-9/h1-6H,7H2.
What are the key properties of 1-(1,3-thiazol-2-ylmethyl)pyridin-4-one?
1-(1,3-thiazol-2-ylmethyl)pyridin-4-one has a molecular weight of 192.24 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-ylmethyl)pyridin-4-one is sourced from PubChem (CID 116622336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).