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

C16H10FN3OS — CID 70495543

IUPAC5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)cc1-c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H10FN3OS/c1-9-13(6-11(7-18)15(21)19-9)14-8-22-16(20-14)10-2-4-12(17)5-3-10/h2-6,8H,1H3,(H,19,21)
InChIKeyYRWYSODSXHYUMX-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.48
Rot. Bonds2

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

5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 70495543) has the molecular formula C16H10FN3OS and a molecular weight of 311.34 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID70495543
Molecular FormulaC16H10FN3OS
Molecular Weight311.34 g/mol
Exact Mass311.05
IUPAC Name5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)cc1-c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H10FN3OS/c1-9-13(6-11(7-18)15(21)19-9)14-8-22-16(20-14)10-2-4-12(17)5-3-10/h2-6,8H,1H3,(H,19,21)
InChIKeyYRWYSODSXHYUMX-UHFFFAOYSA-N
XLogP3.48
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 70495543) is 5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1[nH]c(=O)c(C#N)cc1-c1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of 5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is YRWYSODSXHYUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3OS/c1-9-13(6-11(7-18)15(21)19-9)14-8-22-16(20-14)10-2-4-12(17)5-3-10/h2-6,8H,1H3,(H,19,21).
What are the key properties of 5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 311.34 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 70495543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).