1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-5-phenylmethoxy-6-pyridin-4-ylpyridin-2-one

C22H19N3O2S — CID 18315853

IUPAC1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-5-phenylmethoxy-6-pyridin-4-ylpyridin-2-one
SMILESCc1csc(-c2cc(OCc3ccccc3)c(-c3ccncc3)n(C)c2=O)n1
InChIInChI=1S/C22H19N3O2S/c1-15-14-28-21(24-15)18-12-19(27-13-16-6-4-3-5-7-16)20(25(2)22(18)26)17-8-10-23-11-9-17/h3-12,14H,13H2,1-2H3
InChIKeyMGUFQSSPEWIZMY-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.46
Rot. Bonds5

About 1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-5-phenylmethoxy-6-pyridin-4-ylpyridin-2-one

1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-5-phenylmethoxy-6-pyridin-4-ylpyridin-2-one (PubChem CID 18315853) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is 1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-5-phenylmethoxy-6-pyridin-4-ylpyridin-2-one.

Molecular Properties

Compound Name1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-5-phenylmethoxy-6-pyridin-4-ylpyridin-2-one
PubChem CID18315853
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC Name1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-5-phenylmethoxy-6-pyridin-4-ylpyridin-2-one
SMILESCc1csc(-c2cc(OCc3ccccc3)c(-c3ccncc3)n(C)c2=O)n1
InChIInChI=1S/C22H19N3O2S/c1-15-14-28-21(24-15)18-12-19(27-13-16-6-4-3-5-7-16)20(25(2)22(18)26)17-8-10-23-11-9-17/h3-12,14H,13H2,1-2H3
InChIKeyMGUFQSSPEWIZMY-UHFFFAOYSA-N
XLogP4.46
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-5-phenylmethoxy-6-pyridin-4-ylpyridin-2-one?
The IUPAC name of 1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-5-phenylmethoxy-6-pyridin-4-ylpyridin-2-one (CID 18315853) is 1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-5-phenylmethoxy-6-pyridin-4-ylpyridin-2-one.
What is the SMILES notation for 1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-5-phenylmethoxy-6-pyridin-4-ylpyridin-2-one?
The canonical SMILES for 1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-5-phenylmethoxy-6-pyridin-4-ylpyridin-2-one is Cc1csc(-c2cc(OCc3ccccc3)c(-c3ccncc3)n(C)c2=O)n1.
What is the InChIKey of 1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-5-phenylmethoxy-6-pyridin-4-ylpyridin-2-one?
The InChIKey is MGUFQSSPEWIZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-15-14-28-21(24-15)18-12-19(27-13-16-6-4-3-5-7-16)20(25(2)22(18)26)17-8-10-23-11-9-17/h3-12,14H,13H2,1-2H3.
What are the key properties of 1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-5-phenylmethoxy-6-pyridin-4-ylpyridin-2-one?
1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-5-phenylmethoxy-6-pyridin-4-ylpyridin-2-one has a molecular weight of 389.48 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-5-phenylmethoxy-6-pyridin-4-ylpyridin-2-one is sourced from PubChem (CID 18315853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).