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

C18H12FN5S — CID 58416199

IUPAC2-(5-fluoro-3-pyridinyl)-4-methyl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole
SMILESCc1nc(-c2cncc(F)c2)sc1-c1cccc(-c2ncccn2)n1
InChIInChI=1S/C18H12FN5S/c1-11-16(25-18(23-11)12-8-13(19)10-20-9-12)14-4-2-5-15(24-14)17-21-6-3-7-22-17/h2-10H,1H3
InChIKeyOMJMTUUYLOLZPU-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.17
Rot. Bonds3

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

2-(5-fluoro-3-pyridinyl)-4-methyl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole (PubChem CID 58416199) has the molecular formula C18H12FN5S and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-(5-fluoro-3-pyridinyl)-4-methyl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(5-fluoro-3-pyridinyl)-4-methyl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole
PubChem CID58416199
Molecular FormulaC18H12FN5S
Molecular Weight349.39 g/mol
Exact Mass349.08
IUPAC Name2-(5-fluoro-3-pyridinyl)-4-methyl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole
SMILESCc1nc(-c2cncc(F)c2)sc1-c1cccc(-c2ncccn2)n1
InChIInChI=1S/C18H12FN5S/c1-11-16(25-18(23-11)12-8-13(19)10-20-9-12)14-4-2-5-15(24-14)17-21-6-3-7-22-17/h2-10H,1H3
InChIKeyOMJMTUUYLOLZPU-UHFFFAOYSA-N
XLogP4.17
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3-pyridinyl)-4-methyl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole?
The IUPAC name of 2-(5-fluoro-3-pyridinyl)-4-methyl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole (CID 58416199) is 2-(5-fluoro-3-pyridinyl)-4-methyl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 2-(5-fluoro-3-pyridinyl)-4-methyl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole?
The canonical SMILES for 2-(5-fluoro-3-pyridinyl)-4-methyl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole is Cc1nc(-c2cncc(F)c2)sc1-c1cccc(-c2ncccn2)n1.
What is the InChIKey of 2-(5-fluoro-3-pyridinyl)-4-methyl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole?
The InChIKey is OMJMTUUYLOLZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN5S/c1-11-16(25-18(23-11)12-8-13(19)10-20-9-12)14-4-2-5-15(24-14)17-21-6-3-7-22-17/h2-10H,1H3.
What are the key properties of 2-(5-fluoro-3-pyridinyl)-4-methyl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole?
2-(5-fluoro-3-pyridinyl)-4-methyl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole has a molecular weight of 349.39 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-3-pyridinyl)-4-methyl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 58416199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).