1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-5,6-diphenylpyridin-2-one

C22H18N2OS — CID 18315857

IUPAC1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-5,6-diphenylpyridin-2-one
SMILESCc1csc(-c2cc(-c3ccccc3)c(-c3ccccc3)n(C)c2=O)n1
InChIInChI=1S/C22H18N2OS/c1-15-14-26-21(23-15)19-13-18(16-9-5-3-6-10-16)20(24(2)22(19)25)17-11-7-4-8-12-17/h3-14H,1-2H3
InChIKeySJHPUDUENBLPEV-UHFFFAOYSA-N
MW358.47 g/mol
LogP5.15
Rot. Bonds3

About 1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-5,6-diphenylpyridin-2-one

1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-5,6-diphenylpyridin-2-one (PubChem CID 18315857) has the molecular formula C22H18N2OS and a molecular weight of 358.47 g/mol. Its IUPAC name is 1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-5,6-diphenylpyridin-2-one.

Molecular Properties

Compound Name1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-5,6-diphenylpyridin-2-one
PubChem CID18315857
Molecular FormulaC22H18N2OS
Molecular Weight358.47 g/mol
Exact Mass358.11
IUPAC Name1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-5,6-diphenylpyridin-2-one
SMILESCc1csc(-c2cc(-c3ccccc3)c(-c3ccccc3)n(C)c2=O)n1
InChIInChI=1S/C22H18N2OS/c1-15-14-26-21(23-15)19-13-18(16-9-5-3-6-10-16)20(24(2)22(19)25)17-11-7-4-8-12-17/h3-14H,1-2H3
InChIKeySJHPUDUENBLPEV-UHFFFAOYSA-N
XLogP5.15
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.47
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-5,6-diphenylpyridin-2-one?
The IUPAC name of 1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-5,6-diphenylpyridin-2-one (CID 18315857) is 1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-5,6-diphenylpyridin-2-one.
What is the SMILES notation for 1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-5,6-diphenylpyridin-2-one?
The canonical SMILES for 1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-5,6-diphenylpyridin-2-one is Cc1csc(-c2cc(-c3ccccc3)c(-c3ccccc3)n(C)c2=O)n1.
What is the InChIKey of 1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-5,6-diphenylpyridin-2-one?
The InChIKey is SJHPUDUENBLPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2OS/c1-15-14-26-21(23-15)19-13-18(16-9-5-3-6-10-16)20(24(2)22(19)25)17-11-7-4-8-12-17/h3-14H,1-2H3.
What are the key properties of 1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-5,6-diphenylpyridin-2-one?
1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-5,6-diphenylpyridin-2-one has a molecular weight of 358.47 g/mol, XLogP of 5.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-5,6-diphenylpyridin-2-one is sourced from PubChem (CID 18315857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).