2-(5-fluoro-3-pyridinyl)-4-methyl-5-(6-methyl-2-pyrimidin-2-ylpyrimidin-4-yl)-1,3-thiazole

C18H13FN6S — CID 58416019

IUPAC2-(5-fluoro-3-pyridinyl)-4-methyl-5-(6-methyl-2-pyrimidin-2-ylpyrimidin-4-yl)-1,3-thiazole
SMILESCc1cc(-c2sc(-c3cncc(F)c3)nc2C)nc(-c2ncccn2)n1
InChIInChI=1S/C18H13FN6S/c1-10-6-14(25-17(23-10)16-21-4-3-5-22-16)15-11(2)24-18(26-15)12-7-13(19)9-20-8-12/h3-9H,1-2H3
InChIKeyAJUKJSGRNJYBAF-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.88
Rot. Bonds3

About 2-(5-fluoro-3-pyridinyl)-4-methyl-5-(6-methyl-2-pyrimidin-2-ylpyrimidin-4-yl)-1,3-thiazole

2-(5-fluoro-3-pyridinyl)-4-methyl-5-(6-methyl-2-pyrimidin-2-ylpyrimidin-4-yl)-1,3-thiazole (PubChem CID 58416019) has the molecular formula C18H13FN6S and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-(5-fluoro-3-pyridinyl)-4-methyl-5-(6-methyl-2-pyrimidin-2-ylpyrimidin-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(5-fluoro-3-pyridinyl)-4-methyl-5-(6-methyl-2-pyrimidin-2-ylpyrimidin-4-yl)-1,3-thiazole
PubChem CID58416019
Molecular FormulaC18H13FN6S
Molecular Weight364.41 g/mol
Exact Mass364.09
IUPAC Name2-(5-fluoro-3-pyridinyl)-4-methyl-5-(6-methyl-2-pyrimidin-2-ylpyrimidin-4-yl)-1,3-thiazole
SMILESCc1cc(-c2sc(-c3cncc(F)c3)nc2C)nc(-c2ncccn2)n1
InChIInChI=1S/C18H13FN6S/c1-10-6-14(25-17(23-10)16-21-4-3-5-22-16)15-11(2)24-18(26-15)12-7-13(19)9-20-8-12/h3-9H,1-2H3
InChIKeyAJUKJSGRNJYBAF-UHFFFAOYSA-N
XLogP3.88
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3-pyridinyl)-4-methyl-5-(6-methyl-2-pyrimidin-2-ylpyrimidin-4-yl)-1,3-thiazole?
The IUPAC name of 2-(5-fluoro-3-pyridinyl)-4-methyl-5-(6-methyl-2-pyrimidin-2-ylpyrimidin-4-yl)-1,3-thiazole (CID 58416019) is 2-(5-fluoro-3-pyridinyl)-4-methyl-5-(6-methyl-2-pyrimidin-2-ylpyrimidin-4-yl)-1,3-thiazole.
What is the SMILES notation for 2-(5-fluoro-3-pyridinyl)-4-methyl-5-(6-methyl-2-pyrimidin-2-ylpyrimidin-4-yl)-1,3-thiazole?
The canonical SMILES for 2-(5-fluoro-3-pyridinyl)-4-methyl-5-(6-methyl-2-pyrimidin-2-ylpyrimidin-4-yl)-1,3-thiazole is Cc1cc(-c2sc(-c3cncc(F)c3)nc2C)nc(-c2ncccn2)n1.
What is the InChIKey of 2-(5-fluoro-3-pyridinyl)-4-methyl-5-(6-methyl-2-pyrimidin-2-ylpyrimidin-4-yl)-1,3-thiazole?
The InChIKey is AJUKJSGRNJYBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN6S/c1-10-6-14(25-17(23-10)16-21-4-3-5-22-16)15-11(2)24-18(26-15)12-7-13(19)9-20-8-12/h3-9H,1-2H3.
What are the key properties of 2-(5-fluoro-3-pyridinyl)-4-methyl-5-(6-methyl-2-pyrimidin-2-ylpyrimidin-4-yl)-1,3-thiazole?
2-(5-fluoro-3-pyridinyl)-4-methyl-5-(6-methyl-2-pyrimidin-2-ylpyrimidin-4-yl)-1,3-thiazole has a molecular weight of 364.41 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-3-pyridinyl)-4-methyl-5-(6-methyl-2-pyrimidin-2-ylpyrimidin-4-yl)-1,3-thiazole is sourced from PubChem (CID 58416019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).