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

C12H11N3OS — CID 23317678

IUPAC5-(2,5-dimethyl-1,3-thiazol-4-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1nc(-c2cc(C#N)c(=O)[nH]c2C)c(C)s1
InChIInChI=1S/C12H11N3OS/c1-6-10(4-9(5-13)12(16)14-6)11-7(2)17-8(3)15-11/h4H,1-3H3,(H,14,16)
InChIKeyQLJBRXXQWUCNGJ-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.30
Rot. Bonds1

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

5-(2,5-dimethyl-1,3-thiazol-4-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 23317678) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is 5-(2,5-dimethyl-1,3-thiazol-4-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(2,5-dimethyl-1,3-thiazol-4-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID23317678
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name5-(2,5-dimethyl-1,3-thiazol-4-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1nc(-c2cc(C#N)c(=O)[nH]c2C)c(C)s1
InChIInChI=1S/C12H11N3OS/c1-6-10(4-9(5-13)12(16)14-6)11-7(2)17-8(3)15-11/h4H,1-3H3,(H,14,16)
InChIKeyQLJBRXXQWUCNGJ-UHFFFAOYSA-N
XLogP2.30
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethyl-1,3-thiazol-4-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-(2,5-dimethyl-1,3-thiazol-4-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 23317678) is 5-(2,5-dimethyl-1,3-thiazol-4-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-(2,5-dimethyl-1,3-thiazol-4-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-(2,5-dimethyl-1,3-thiazol-4-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1nc(-c2cc(C#N)c(=O)[nH]c2C)c(C)s1.
What is the InChIKey of 5-(2,5-dimethyl-1,3-thiazol-4-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is QLJBRXXQWUCNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c1-6-10(4-9(5-13)12(16)14-6)11-7(2)17-8(3)15-11/h4H,1-3H3,(H,14,16).
What are the key properties of 5-(2,5-dimethyl-1,3-thiazol-4-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
5-(2,5-dimethyl-1,3-thiazol-4-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 245.31 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethyl-1,3-thiazol-4-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 23317678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).