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

C17H10FN5S — CID 174687509

IUPAC2-(4-fluoro-3-pyridinyl)-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole
SMILESFc1ccncc1-c1ncc(-c2cccc(-c3ncccn3)n2)s1
InChIInChI=1S/C17H10FN5S/c18-12-5-8-19-9-11(12)17-22-10-15(24-17)13-3-1-4-14(23-13)16-20-6-2-7-21-16/h1-10H
InChIKeyZLXZRYGJWNSQRK-UHFFFAOYSA-N
MW335.37 g/mol
LogP3.86
Rot. Bonds3

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

2-(4-fluoro-3-pyridinyl)-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole (PubChem CID 174687509) has the molecular formula C17H10FN5S and a molecular weight of 335.37 g/mol. Its IUPAC name is 2-(4-fluoro-3-pyridinyl)-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-fluoro-3-pyridinyl)-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole
PubChem CID174687509
Molecular FormulaC17H10FN5S
Molecular Weight335.37 g/mol
Exact Mass335.06
IUPAC Name2-(4-fluoro-3-pyridinyl)-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole
SMILESFc1ccncc1-c1ncc(-c2cccc(-c3ncccn3)n2)s1
InChIInChI=1S/C17H10FN5S/c18-12-5-8-19-9-11(12)17-22-10-15(24-17)13-3-1-4-14(23-13)16-20-6-2-7-21-16/h1-10H
InChIKeyZLXZRYGJWNSQRK-UHFFFAOYSA-N
XLogP3.86
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-pyridinyl)-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole?
The IUPAC name of 2-(4-fluoro-3-pyridinyl)-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole (CID 174687509) is 2-(4-fluoro-3-pyridinyl)-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 2-(4-fluoro-3-pyridinyl)-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole?
The canonical SMILES for 2-(4-fluoro-3-pyridinyl)-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole is Fc1ccncc1-c1ncc(-c2cccc(-c3ncccn3)n2)s1.
What is the InChIKey of 2-(4-fluoro-3-pyridinyl)-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole?
The InChIKey is ZLXZRYGJWNSQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FN5S/c18-12-5-8-19-9-11(12)17-22-10-15(24-17)13-3-1-4-14(23-13)16-20-6-2-7-21-16/h1-10H.
What are the key properties of 2-(4-fluoro-3-pyridinyl)-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole?
2-(4-fluoro-3-pyridinyl)-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole has a molecular weight of 335.37 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-pyridinyl)-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 174687509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).