2-(5-fluoro-3-pyridinyl)-5-methylsulfinyl-1,3-thiazole-4-carbonitrile

C10H6FN3OS2 — CID 123409764

IUPAC2-(5-fluoro-3-pyridinyl)-5-methylsulfinyl-1,3-thiazole-4-carbonitrile
SMILESCS(=O)c1sc(-c2cncc(F)c2)nc1C#N
InChIInChI=1S/C10H6FN3OS2/c1-17(15)10-8(3-12)14-9(16-10)6-2-7(11)5-13-4-6/h2,4-5H,1H3
InChIKeyMNYAPKHOLBJAFJ-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.95
Rot. Bonds2

About 2-(5-fluoro-3-pyridinyl)-5-methylsulfinyl-1,3-thiazole-4-carbonitrile

2-(5-fluoro-3-pyridinyl)-5-methylsulfinyl-1,3-thiazole-4-carbonitrile (PubChem CID 123409764) has the molecular formula C10H6FN3OS2 and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-(5-fluoro-3-pyridinyl)-5-methylsulfinyl-1,3-thiazole-4-carbonitrile.

Molecular Properties

Compound Name2-(5-fluoro-3-pyridinyl)-5-methylsulfinyl-1,3-thiazole-4-carbonitrile
PubChem CID123409764
Molecular FormulaC10H6FN3OS2
Molecular Weight267.31 g/mol
Exact Mass266.99
IUPAC Name2-(5-fluoro-3-pyridinyl)-5-methylsulfinyl-1,3-thiazole-4-carbonitrile
SMILESCS(=O)c1sc(-c2cncc(F)c2)nc1C#N
InChIInChI=1S/C10H6FN3OS2/c1-17(15)10-8(3-12)14-9(16-10)6-2-7(11)5-13-4-6/h2,4-5H,1H3
InChIKeyMNYAPKHOLBJAFJ-UHFFFAOYSA-N
XLogP1.95
TPSA66.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3-pyridinyl)-5-methylsulfinyl-1,3-thiazole-4-carbonitrile?
The IUPAC name of 2-(5-fluoro-3-pyridinyl)-5-methylsulfinyl-1,3-thiazole-4-carbonitrile (CID 123409764) is 2-(5-fluoro-3-pyridinyl)-5-methylsulfinyl-1,3-thiazole-4-carbonitrile.
What is the SMILES notation for 2-(5-fluoro-3-pyridinyl)-5-methylsulfinyl-1,3-thiazole-4-carbonitrile?
The canonical SMILES for 2-(5-fluoro-3-pyridinyl)-5-methylsulfinyl-1,3-thiazole-4-carbonitrile is CS(=O)c1sc(-c2cncc(F)c2)nc1C#N.
What is the InChIKey of 2-(5-fluoro-3-pyridinyl)-5-methylsulfinyl-1,3-thiazole-4-carbonitrile?
The InChIKey is MNYAPKHOLBJAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN3OS2/c1-17(15)10-8(3-12)14-9(16-10)6-2-7(11)5-13-4-6/h2,4-5H,1H3.
What are the key properties of 2-(5-fluoro-3-pyridinyl)-5-methylsulfinyl-1,3-thiazole-4-carbonitrile?
2-(5-fluoro-3-pyridinyl)-5-methylsulfinyl-1,3-thiazole-4-carbonitrile has a molecular weight of 267.31 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-3-pyridinyl)-5-methylsulfinyl-1,3-thiazole-4-carbonitrile is sourced from PubChem (CID 123409764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).