6-methyl-2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-pyridine-3-carbonitrile

C16H11N3OS — CID 2801239

IUPAC6-methyl-2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)cc1-c1csc(-c2ccccc2)n1
InChIInChI=1S/C16H11N3OS/c1-10-13(7-12(8-17)15(20)18-10)14-9-21-16(19-14)11-5-3-2-4-6-11/h2-7,9H,1H3,(H,18,20)
InChIKeyUJXSTLXCNHTTRQ-UHFFFAOYSA-N
MW293.35 g/mol
LogP3.35
Rot. Bonds2

About 6-methyl-2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-pyridine-3-carbonitrile

6-methyl-2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-pyridine-3-carbonitrile (PubChem CID 2801239) has the molecular formula C16H11N3OS and a molecular weight of 293.35 g/mol. Its IUPAC name is 6-methyl-2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-pyridine-3-carbonitrile
PubChem CID2801239
Molecular FormulaC16H11N3OS
Molecular Weight293.35 g/mol
Exact Mass293.06
IUPAC Name6-methyl-2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)cc1-c1csc(-c2ccccc2)n1
InChIInChI=1S/C16H11N3OS/c1-10-13(7-12(8-17)15(20)18-10)14-9-21-16(19-14)11-5-3-2-4-6-11/h2-7,9H,1H3,(H,18,20)
InChIKeyUJXSTLXCNHTTRQ-UHFFFAOYSA-N
XLogP3.35
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-pyridine-3-carbonitrile (CID 2801239) is 6-methyl-2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-pyridine-3-carbonitrile is Cc1[nH]c(=O)c(C#N)cc1-c1csc(-c2ccccc2)n1.
What is the InChIKey of 6-methyl-2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-pyridine-3-carbonitrile?
The InChIKey is UJXSTLXCNHTTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3OS/c1-10-13(7-12(8-17)15(20)18-10)14-9-21-16(19-14)11-5-3-2-4-6-11/h2-7,9H,1H3,(H,18,20).
What are the key properties of 6-methyl-2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-pyridine-3-carbonitrile?
6-methyl-2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-pyridine-3-carbonitrile has a molecular weight of 293.35 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 2801239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).