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

C15H9FN4OS — CID 70494769

IUPAC5-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)cc1-c1csc(-c2cncc(F)c2)n1
InChIInChI=1S/C15H9FN4OS/c1-8-12(3-9(4-17)14(21)19-8)13-7-22-15(20-13)10-2-11(16)6-18-5-10/h2-3,5-7H,1H3,(H,19,21)
InChIKeyPRSMVHAWKDFMAX-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.88
Rot. Bonds2

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

5-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 70494769) has the molecular formula C15H9FN4OS and a molecular weight of 312.33 g/mol. Its IUPAC name is 5-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID70494769
Molecular FormulaC15H9FN4OS
Molecular Weight312.33 g/mol
Exact Mass312.05
IUPAC Name5-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)cc1-c1csc(-c2cncc(F)c2)n1
InChIInChI=1S/C15H9FN4OS/c1-8-12(3-9(4-17)14(21)19-8)13-7-22-15(20-13)10-2-11(16)6-18-5-10/h2-3,5-7H,1H3,(H,19,21)
InChIKeyPRSMVHAWKDFMAX-UHFFFAOYSA-N
XLogP2.88
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 70494769) is 5-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1[nH]c(=O)c(C#N)cc1-c1csc(-c2cncc(F)c2)n1.
What is the InChIKey of 5-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is PRSMVHAWKDFMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN4OS/c1-8-12(3-9(4-17)14(21)19-8)13-7-22-15(20-13)10-2-11(16)6-18-5-10/h2-3,5-7H,1H3,(H,19,21).
What are the key properties of 5-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
5-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 312.33 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 70494769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).