4-bromo-2-(5-fluoro-3-pyridinyl)-5-methoxy-1,3-thiazole;4-bromo-2-(5-fluoro-3-pyridinyl)-5-methylsulfanyl-1,3-thiazole;4-bromo-2-(5-fluoro-3-pyridinyl)-5-methylsulfonyl-1,3-thiazole;4-bromo-5-methoxy-2-pyridin-3-yl-1,3-thiazole;4-bromo-5-methylsulfanyl-2-pyridin-3-yl-1,3-thiazole;4-bromo-5-methylsulfonyl-2-pyridin-3-yl-1,3-thiazole

C54H39Br6F3N12O6S10 — CID 160511969

About 4-bromo-2-(5-fluoro-3-pyridinyl)-5-methoxy-1,3-thiazole;4-bromo-2-(5-fluoro-3-pyridinyl)-5-methylsulfanyl-1,3-thiazole;4-bromo-2-(5-fluoro-3-pyridinyl)-5-methylsulfonyl-1,3-thiazole;4-bromo-5-methoxy-2-pyridin-3-yl-1,3-thiazole;4-bromo-5-methylsulfanyl-2-pyridin-3-yl-1,3-thiazole;4-bromo-5-methylsulfonyl-2-pyridin-3-yl-1,3-thiazole

4-bromo-2-(5-fluoro-3-pyridinyl)-5-methoxy-1,3-thiazole;4-bromo-2-(5-fluoro-3-pyridinyl)-5-methylsulfanyl-1,3-thiazole;4-bromo-2-(5-fluoro-3-pyridinyl)-5-methylsulfonyl-1,3-thiazole;4-bromo-5-methoxy-2-pyridin-3-yl-1,3-thiazole;4-bromo-5-methylsulfanyl-2-pyridin-3-yl-1,3-thiazole;4-bromo-5-methylsulfonyl-2-pyridin-3-yl-1,3-thiazole (PubChem CID 160511969) has the molecular formula C54H39Br6F3N12O6S10 and a molecular weight of 1809.07 g/mol. Its IUPAC name is 4-bromo-2-(5-fluoro-3-pyridinyl)-5-methoxy-1,3-thiazole;4-bromo-2-(5-fluoro-3-pyridinyl)-5-methylsulfanyl-1,3-thiazole;4-bromo-2-(5-fluoro-3-pyridinyl)-5-methylsulfonyl-1,3-thiazole;4-bromo-5-methoxy-2-pyridin-3-yl-1,3-thiazole;4-bromo-5-methylsulfanyl-2-pyridin-3-yl-1,3-thiazole;4-bromo-5-methylsulfonyl-2-pyridin-3-yl-1,3-thiazole.

Molecular Properties

• Compound Name: 4-bromo-2-(5-fluoro-3-pyridinyl)-5-methoxy-1,3-thiazole;4-bromo-2-(5-fluoro-3-pyridinyl)-5-methylsulfanyl-1,3-thiazole;4-bromo-2-(5-fluoro-3-pyridinyl)-5-methylsulfonyl-1,3-thiazole;4-bromo-5-methoxy-2-pyridin-3-yl-1,3-thiazole;4-bromo-5-methylsulfanyl-2-pyridin-3-yl-1,3-thiazole;4-bromo-5-methylsulfonyl-2-pyridin-3-yl-1,3-thiazole
• PubChem CID: 160511969
• Molecular Formula: C54H39Br6F3N12O6S10
• Molecular Weight: 1809.07 g/mol
• Exact Mass: 1801.54
• IUPAC Name: 4-bromo-2-(5-fluoro-3-pyridinyl)-5-methoxy-1,3-thiazole;4-bromo-2-(5-fluoro-3-pyridinyl)-5-methylsulfanyl-1,3-thiazole;4-bromo-2-(5-fluoro-3-pyridinyl)-5-methylsulfonyl-1,3-thiazole;4-bromo-5-methoxy-2-pyridin-3-yl-1,3-thiazole;4-bromo-5-methylsulfanyl-2-pyridin-3-yl-1,3-thiazole;4-bromo-5-methylsulfonyl-2-pyridin-3-yl-1,3-thiazole
• SMILES: COc1sc(-c2cccnc2)nc1Br.COc1sc(-c2cncc(F)c2)nc1Br.CS(=O)(=O)c1sc(-c2cccnc2)nc1Br.CS(=O)(=O)c1sc(-c2cncc(F)c2)nc1Br.CSc1sc(-c2cccnc2)nc1Br.CSc1sc(-c2cncc(F)c2)nc1Br
• InChI: InChI=1S/C9H6BrFN2O2S2.C9H6BrFN2OS.C9H6BrFN2S2.C9H7BrN2O2S2.C9H7BrN2OS.C9H7BrN2S2/c1-17(14,15)9-7(10)13-8(16-9)5-2-6(11)4-12-3-5;2*1-14-9-7(10)13-8(15-9)5-2-6(11)4-12-3-5;1-16(13,14)9-7(10)12-8(15-9)6-3-2-4-11-5-6;2*1-13-9-7(10)12-8(14-9)6-3-2-4-11-5-6/h2-4H,1H3;2*2-4H,1H3;2-5H,1H3;2*2-5H,1H3
• InChIKey: QTDWNFTXEPSGSC-UHFFFAOYSA-N
• XLogP: 18.49
• TPSA: 241.42 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 12
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1809.07
LogP ≤ 5	18.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(5-fluoro-3-pyridinyl)-5-methoxy-1,3-thiazole;4-bromo-2-(5-fluoro-3-pyridinyl)-5-methylsulfanyl-1,3-thiazole;4-bromo-2-(5-fluoro-3-pyridinyl)-5-methylsulfonyl-1,3-thiazole;4-bromo-5-methoxy-2-pyridin-3-yl-1,3-thiazole;4-bromo-5-methylsulfanyl-2-pyridin-3-yl-1,3-thiazole;4-bromo-5-methylsulfonyl-2-pyridin-3-yl-1,3-thiazole?

The IUPAC name of 4-bromo-2-(5-fluoro-3-pyridinyl)-5-methoxy-1,3-thiazole;4-bromo-2-(5-fluoro-3-pyridinyl)-5-methylsulfanyl-1,3-thiazole;4-bromo-2-(5-fluoro-3-pyridinyl)-5-methylsulfonyl-1,3-thiazole;4-bromo-5-methoxy-2-pyridin-3-yl-1,3-thiazole;4-bromo-5-methylsulfanyl-2-pyridin-3-yl-1,3-thiazole;4-bromo-5-methylsulfonyl-2-pyridin-3-yl-1,3-thiazole (CID 160511969) is 4-bromo-2-(5-fluoro-3-pyridinyl)-5-methoxy-1,3-thiazole;4-bromo-2-(5-fluoro-3-pyridinyl)-5-methylsulfanyl-1,3-thiazole;4-bromo-2-(5-fluoro-3-pyridinyl)-5-methylsulfonyl-1,3-thiazole;4-bromo-5-methoxy-2-pyridin-3-yl-1,3-thiazole;4-bromo-5-methylsulfanyl-2-pyridin-3-yl-1,3-thiazole;4-bromo-5-methylsulfonyl-2-pyridin-3-yl-1,3-thiazole.

What is the SMILES notation for 4-bromo-2-(5-fluoro-3-pyridinyl)-5-methoxy-1,3-thiazole;4-bromo-2-(5-fluoro-3-pyridinyl)-5-methylsulfanyl-1,3-thiazole;4-bromo-2-(5-fluoro-3-pyridinyl)-5-methylsulfonyl-1,3-thiazole;4-bromo-5-methoxy-2-pyridin-3-yl-1,3-thiazole;4-bromo-5-methylsulfanyl-2-pyridin-3-yl-1,3-thiazole;4-bromo-5-methylsulfonyl-2-pyridin-3-yl-1,3-thiazole?

The canonical SMILES for 4-bromo-2-(5-fluoro-3-pyridinyl)-5-methoxy-1,3-thiazole;4-bromo-2-(5-fluoro-3-pyridinyl)-5-methylsulfanyl-1,3-thiazole;4-bromo-2-(5-fluoro-3-pyridinyl)-5-methylsulfonyl-1,3-thiazole;4-bromo-5-methoxy-2-pyridin-3-yl-1,3-thiazole;4-bromo-5-methylsulfanyl-2-pyridin-3-yl-1,3-thiazole;4-bromo-5-methylsulfonyl-2-pyridin-3-yl-1,3-thiazole is COc1sc(-c2cccnc2)nc1Br.COc1sc(-c2cncc(F)c2)nc1Br.CS(=O)(=O)c1sc(-c2cccnc2)nc1Br.CS(=O)(=O)c1sc(-c2cncc(F)c2)nc1Br.CSc1sc(-c2cccnc2)nc1Br.CSc1sc(-c2cncc(F)c2)nc1Br.

What is the InChIKey of 4-bromo-2-(5-fluoro-3-pyridinyl)-5-methoxy-1,3-thiazole;4-bromo-2-(5-fluoro-3-pyridinyl)-5-methylsulfanyl-1,3-thiazole;4-bromo-2-(5-fluoro-3-pyridinyl)-5-methylsulfonyl-1,3-thiazole;4-bromo-5-methoxy-2-pyridin-3-yl-1,3-thiazole;4-bromo-5-methylsulfanyl-2-pyridin-3-yl-1,3-thiazole;4-bromo-5-methylsulfonyl-2-pyridin-3-yl-1,3-thiazole?

The InChIKey is QTDWNFTXEPSGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFN2O2S2.C9H6BrFN2OS.C9H6BrFN2S2.C9H7BrN2O2S2.C9H7BrN2OS.C9H7BrN2S2/c1-17(14,15)9-7(10)13-8(16-9)5-2-6(11)4-12-3-5;2*1-14-9-7(10)13-8(15-9)5-2-6(11)4-12-3-5;1-16(13,14)9-7(10)12-8(15-9)6-3-2-4-11-5-6;2*1-13-9-7(10)12-8(14-9)6-3-2-4-11-5-6/h2-4H,1H3;2*2-4H,1H3;2-5H,1H3;2*2-5H,1H3.

What are the key properties of 4-bromo-2-(5-fluoro-3-pyridinyl)-5-methoxy-1,3-thiazole;4-bromo-2-(5-fluoro-3-pyridinyl)-5-methylsulfanyl-1,3-thiazole;4-bromo-2-(5-fluoro-3-pyridinyl)-5-methylsulfonyl-1,3-thiazole;4-bromo-5-methoxy-2-pyridin-3-yl-1,3-thiazole;4-bromo-5-methylsulfanyl-2-pyridin-3-yl-1,3-thiazole;4-bromo-5-methylsulfonyl-2-pyridin-3-yl-1,3-thiazole?

4-bromo-2-(5-fluoro-3-pyridinyl)-5-methoxy-1,3-thiazole;4-bromo-2-(5-fluoro-3-pyridinyl)-5-methylsulfanyl-1,3-thiazole;4-bromo-2-(5-fluoro-3-pyridinyl)-5-methylsulfonyl-1,3-thiazole;4-bromo-5-methoxy-2-pyridin-3-yl-1,3-thiazole;4-bromo-5-methylsulfanyl-2-pyridin-3-yl-1,3-thiazole;4-bromo-5-methylsulfonyl-2-pyridin-3-yl-1,3-thiazole has a molecular weight of 1809.07 g/mol, XLogP of 18.49, 12 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-2-(5-fluoro-3-pyridinyl)-5-methoxy-1,3-thiazole;4-bromo-2-(5-fluoro-3-pyridinyl)-5-methylsulfanyl-1,3-thiazole;4-bromo-2-(5-fluoro-3-pyridinyl)-5-methylsulfonyl-1,3-thiazole;4-bromo-5-methoxy-2-pyridin-3-yl-1,3-thiazole;4-bromo-5-methylsulfanyl-2-pyridin-3-yl-1,3-thiazole;4-bromo-5-methylsulfonyl-2-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 160511969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).