3-bromo-5-fluoropyridine;5-(5-fluoro-3-pyridinyl)-2-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole;2-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole

C34H21BrF2N10S2 — CID 159902509

IUPAC3-bromo-5-fluoropyridine;5-(5-fluoro-3-pyridinyl)-2-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole;2-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole
SMILESFc1cncc(-c2cnc(-c3cccc(-c4ncccn4)n3)s2)c1.Fc1cncc(Br)c1.c1cnc(-c2cccc(-c3nccs3)n2)nc1
InChIInChI=1S/C17H10FN5S.C12H8N4S.C5H3BrFN/c18-12-7-11(8-19-9-12)15-10-22-17(24-15)14-4-1-3-13(23-14)16-20-5-2-6-21-16;1-3-9(11-13-5-2-6-14-11)16-10(4-1)12-15-7-8-17-12;6-4-1-5(7)3-8-2-4/h1-10H;1-8H;1-3H
InChIKeyNWDLAYOQROMDFW-UHFFFAOYSA-N
MW751.65 g/mol
LogP8.51
Rot. Bonds5

About 3-bromo-5-fluoropyridine;5-(5-fluoro-3-pyridinyl)-2-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole;2-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole

3-bromo-5-fluoropyridine;5-(5-fluoro-3-pyridinyl)-2-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole;2-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole (PubChem CID 159902509) has the molecular formula C34H21BrF2N10S2 and a molecular weight of 751.65 g/mol. Its IUPAC name is 3-bromo-5-fluoropyridine;5-(5-fluoro-3-pyridinyl)-2-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole;2-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name3-bromo-5-fluoropyridine;5-(5-fluoro-3-pyridinyl)-2-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole;2-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole
PubChem CID159902509
Molecular FormulaC34H21BrF2N10S2
Molecular Weight751.65 g/mol
Exact Mass750.05
IUPAC Name3-bromo-5-fluoropyridine;5-(5-fluoro-3-pyridinyl)-2-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole;2-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole
SMILESFc1cncc(-c2cnc(-c3cccc(-c4ncccn4)n3)s2)c1.Fc1cncc(Br)c1.c1cnc(-c2cccc(-c3nccs3)n2)nc1
InChIInChI=1S/C17H10FN5S.C12H8N4S.C5H3BrFN/c18-12-7-11(8-19-9-12)15-10-22-17(24-15)14-4-1-3-13(23-14)16-20-5-2-6-21-16;1-3-9(11-13-5-2-6-14-11)16-10(4-1)12-15-7-8-17-12;6-4-1-5(7)3-8-2-4/h1-10H;1-8H;1-3H
InChIKeyNWDLAYOQROMDFW-UHFFFAOYSA-N
XLogP8.51
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500751.65
LogP ≤ 58.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 3-bromo-5-fluoropyridine;5-(5-fluoro-3-pyridinyl)-2-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole;2-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

2-[6-[[2-(3-Fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-propylpyrimidin-4-yl]-1,3-thiazole
CID 10068344
2-[6-(4-Fluoro-2-pyridin-3-ylthiazol-5-yl)pyridin-2-yl]pyrimidine
CID 53492724
2-(5-Fluoro-3-pyridinyl)-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole
CID 53492740
2-{6-[5-(5-Fluoropyridin-3-yl)-1,3-thiazol-2-yl]pyridin-2-yl}pyrimidine
CID 67517533
5-[2-(5-Fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-7-pyrimidin-2-ylthieno[2,3-c]pyridine
CID 123473230
6-[2-(5-Fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-4-pyrimidin-2-ylthieno[3,2-c]pyridine
CID 123777526
4-[2-(5-Fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-6-pyrimidin-2-ylthieno[3,2-c]pyridine
CID 123891055
2-[5-[3-[2-(3-Fluoro-2-pyridinyl)imidazol-1-yl]-2-methylpropyl]pyrimidin-4-yl]-1,3-thiazole
CID 140049173
2-(5-Fluoro-3-pyridinyl)-5-(2-pyrimidin-2-yl-3-pyridinyl)-1,3-thiazole
CID 153420466
3,5-Difluoro-2-methylpyridine;2,5-dimethylpyridine;1-fluoro-4-methylbenzene;5-fluoro-2-methylpyridine;5-fluoro-4-methylpyrimidine;methane;2-methyl-4-phenylpyrimidine;2-methyl-4-(trifluoromethyl)-1,3-thiazole;bis(1,4-xylene)
CID 157985475
2-(4-Fluoro-3-pyridinyl)-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole
CID 174687509
2-(5-Fluoro-3-pyridinyl)-5-(2-pyridin-2-ylpyrimidin-4-yl)-1,3-thiazole
CID 175888748

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoropyridine;5-(5-fluoro-3-pyridinyl)-2-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole;2-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole?
The IUPAC name of 3-bromo-5-fluoropyridine;5-(5-fluoro-3-pyridinyl)-2-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole;2-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole (CID 159902509) is 3-bromo-5-fluoropyridine;5-(5-fluoro-3-pyridinyl)-2-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole;2-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 3-bromo-5-fluoropyridine;5-(5-fluoro-3-pyridinyl)-2-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole;2-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole?
The canonical SMILES for 3-bromo-5-fluoropyridine;5-(5-fluoro-3-pyridinyl)-2-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole;2-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole is Fc1cncc(-c2cnc(-c3cccc(-c4ncccn4)n3)s2)c1.Fc1cncc(Br)c1.c1cnc(-c2cccc(-c3nccs3)n2)nc1.
What is the InChIKey of 3-bromo-5-fluoropyridine;5-(5-fluoro-3-pyridinyl)-2-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole;2-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole?
The InChIKey is NWDLAYOQROMDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FN5S.C12H8N4S.C5H3BrFN/c18-12-7-11(8-19-9-12)15-10-22-17(24-15)14-4-1-3-13(23-14)16-20-5-2-6-21-16;1-3-9(11-13-5-2-6-14-11)16-10(4-1)12-15-7-8-17-12;6-4-1-5(7)3-8-2-4/h1-10H;1-8H;1-3H.
What are the key properties of 3-bromo-5-fluoropyridine;5-(5-fluoro-3-pyridinyl)-2-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole;2-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole?
3-bromo-5-fluoropyridine;5-(5-fluoro-3-pyridinyl)-2-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole;2-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole has a molecular weight of 751.65 g/mol, XLogP of 8.51, 5 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoropyridine;5-(5-fluoro-3-pyridinyl)-2-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole;2-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 159902509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).