6-methyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one

C14H11N3OS — CID 10355730

IUPAC6-methyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one
SMILESCc1ccc(-c2csc(-c3ccncc3)n2)c(=O)[nH]1
InChIInChI=1S/C14H11N3OS/c1-9-2-3-11(13(18)16-9)12-8-19-14(17-12)10-4-6-15-7-5-10/h2-8H,1H3,(H,16,18)
InChIKeyOMANKTBTWPELKT-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.87
Rot. Bonds2

About 6-methyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one

6-methyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one (PubChem CID 10355730) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is 6-methyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-methyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one
PubChem CID10355730
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC Name6-methyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one
SMILESCc1ccc(-c2csc(-c3ccncc3)n2)c(=O)[nH]1
InChIInChI=1S/C14H11N3OS/c1-9-2-3-11(13(18)16-9)12-8-19-14(17-12)10-4-6-15-7-5-10/h2-8H,1H3,(H,16,18)
InChIKeyOMANKTBTWPELKT-UHFFFAOYSA-N
XLogP2.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one?
The IUPAC name of 6-methyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one (CID 10355730) is 6-methyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one.
What is the SMILES notation for 6-methyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one?
The canonical SMILES for 6-methyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one is Cc1ccc(-c2csc(-c3ccncc3)n2)c(=O)[nH]1.
What is the InChIKey of 6-methyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one?
The InChIKey is OMANKTBTWPELKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c1-9-2-3-11(13(18)16-9)12-8-19-14(17-12)10-4-6-15-7-5-10/h2-8H,1H3,(H,16,18).
What are the key properties of 6-methyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one?
6-methyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one has a molecular weight of 269.33 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one is sourced from PubChem (CID 10355730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).