5-bromo-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-one

C10H9BrN2OS — CID 60746622

IUPAC5-bromo-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-one
SMILESCc1nc(Cn2cc(Br)ccc2=O)cs1
InChIInChI=1S/C10H9BrN2OS/c1-7-12-9(6-15-7)5-13-4-8(11)2-3-10(13)14/h2-4,6H,5H2,1H3
InChIKeyNXXNXSPSHYZSCZ-UHFFFAOYSA-N
MW285.17 g/mol
LogP2.42
Rot. Bonds2

About 5-bromo-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-one

5-bromo-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-one (PubChem CID 60746622) has the molecular formula C10H9BrN2OS and a molecular weight of 285.17 g/mol. Its IUPAC name is 5-bromo-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-one
PubChem CID60746622
Molecular FormulaC10H9BrN2OS
Molecular Weight285.17 g/mol
Exact Mass283.96
IUPAC Name5-bromo-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-one
SMILESCc1nc(Cn2cc(Br)ccc2=O)cs1
InChIInChI=1S/C10H9BrN2OS/c1-7-12-9(6-15-7)5-13-4-8(11)2-3-10(13)14/h2-4,6H,5H2,1H3
InChIKeyNXXNXSPSHYZSCZ-UHFFFAOYSA-N
XLogP2.42
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-bromo-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-one (CID 60746622) is 5-bromo-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-one is Cc1nc(Cn2cc(Br)ccc2=O)cs1.
What is the InChIKey of 5-bromo-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-one?
The InChIKey is NXXNXSPSHYZSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2OS/c1-7-12-9(6-15-7)5-13-4-8(11)2-3-10(13)14/h2-4,6H,5H2,1H3.
What are the key properties of 5-bromo-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-one?
5-bromo-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-one has a molecular weight of 285.17 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-one is sourced from PubChem (CID 60746622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).