4-bromo-5-(1-cyclopropylethyl)-2-(5-fluoro-3-pyridinyl)-1,3-thiazole;4-bromo-5-(1-cyclopropylethyl)-2-pyridin-3-yl-1,3-thiazole;(E)-1-[4-bromo-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methoxyethanimine;4-bromo-2-(5-fluoro-3-pyridinyl)-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole;(E)-1-(4-bromo-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methoxyethanimine;4-bromo-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole

C70H59Br6F9N14O2S6 — CID 172932433

About 4-bromo-5-(1-cyclopropylethyl)-2-(5-fluoro-3-pyridinyl)-1,3-thiazole;4-bromo-5-(1-cyclopropylethyl)-2-pyridin-3-yl-1,3-thiazole;(E)-1-[4-bromo-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methoxyethanimine;4-bromo-2-(5-fluoro-3-pyridinyl)-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole;(E)-1-(4-bromo-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methoxyethanimine;4-bromo-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole

4-bromo-5-(1-cyclopropylethyl)-2-(5-fluoro-3-pyridinyl)-1,3-thiazole;4-bromo-5-(1-cyclopropylethyl)-2-pyridin-3-yl-1,3-thiazole;(E)-1-[4-bromo-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methoxyethanimine;4-bromo-2-(5-fluoro-3-pyridinyl)-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole;(E)-1-(4-bromo-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methoxyethanimine;4-bromo-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole (PubChem CID 172932433) has the molecular formula C70H59Br6F9N14O2S6 and a molecular weight of 1971.15 g/mol. Its IUPAC name is 4-bromo-5-(1-cyclopropylethyl)-2-(5-fluoro-3-pyridinyl)-1,3-thiazole;4-bromo-5-(1-cyclopropylethyl)-2-pyridin-3-yl-1,3-thiazole;(E)-1-[4-bromo-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methoxyethanimine;4-bromo-2-(5-fluoro-3-pyridinyl)-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole;(E)-1-(4-bromo-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methoxyethanimine;4-bromo-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole.

Molecular Properties

• Compound Name: 4-bromo-5-(1-cyclopropylethyl)-2-(5-fluoro-3-pyridinyl)-1,3-thiazole;4-bromo-5-(1-cyclopropylethyl)-2-pyridin-3-yl-1,3-thiazole;(E)-1-[4-bromo-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methoxyethanimine;4-bromo-2-(5-fluoro-3-pyridinyl)-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole;(E)-1-(4-bromo-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methoxyethanimine;4-bromo-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole
• PubChem CID: 172932433
• Molecular Formula: C70H59Br6F9N14O2S6
• Molecular Weight: 1971.15 g/mol
• Exact Mass: 1963.82
• IUPAC Name: 4-bromo-5-(1-cyclopropylethyl)-2-(5-fluoro-3-pyridinyl)-1,3-thiazole;4-bromo-5-(1-cyclopropylethyl)-2-pyridin-3-yl-1,3-thiazole;(E)-1-[4-bromo-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methoxyethanimine;4-bromo-2-(5-fluoro-3-pyridinyl)-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole;(E)-1-(4-bromo-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methoxyethanimine;4-bromo-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole
• SMILES: CC(c1sc(-c2cccnc2)nc1Br)C(F)(F)F.CC(c1sc(-c2cccnc2)nc1Br)C1CC1.CC(c1sc(-c2cncc(F)c2)nc1Br)C(F)(F)F.CC(c1sc(-c2cncc(F)c2)nc1Br)C1CC1.CO/N=C(\C)c1sc(-c2cccnc2)nc1Br.CO/N=C(\C)c1sc(-c2cncc(F)c2)nc1Br
• InChI: InChI=1S/C13H12BrFN2S.C13H13BrN2S.C11H7BrF4N2S.C11H8BrF3N2S.C11H9BrFN3OS.C11H10BrN3OS/c1-7(8-2-3-8)11-12(14)17-13(18-11)9-4-10(15)6-16-5-9;1-8(9-4-5-9)11-12(14)16-13(17-11)10-3-2-6-15-7-10;1-5(11(14,15)16)8-9(12)18-10(19-8)6-2-7(13)4-17-3-6;1-6(11(13,14)15)8-9(12)17-10(18-8)7-3-2-4-16-5-7;1-6(16-17-2)9-10(12)15-11(18-9)7-3-8(13)5-14-4-7;1-7(15-16-2)9-10(12)14-11(17-9)8-4-3-5-13-6-8/h4-8H,2-3H2,1H3;2-3,6-9H,4-5H2,1H3;2-5H,1H3;2-6H,1H3;3-5H,1-2H3;3-6H,1-2H3/b;;;;16-6+;15-7+
• InChIKey: JSKWXXCMKVCOSG-LDRJMCOYSA-N
• XLogP: 25.32
• TPSA: 197.86 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 16
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1971.15
LogP ≤ 5	25.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(1-cyclopropylethyl)-2-(5-fluoro-3-pyridinyl)-1,3-thiazole;4-bromo-5-(1-cyclopropylethyl)-2-pyridin-3-yl-1,3-thiazole;(E)-1-[4-bromo-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methoxyethanimine;4-bromo-2-(5-fluoro-3-pyridinyl)-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole;(E)-1-(4-bromo-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methoxyethanimine;4-bromo-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole?

The IUPAC name of 4-bromo-5-(1-cyclopropylethyl)-2-(5-fluoro-3-pyridinyl)-1,3-thiazole;4-bromo-5-(1-cyclopropylethyl)-2-pyridin-3-yl-1,3-thiazole;(E)-1-[4-bromo-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methoxyethanimine;4-bromo-2-(5-fluoro-3-pyridinyl)-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole;(E)-1-(4-bromo-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methoxyethanimine;4-bromo-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole (CID 172932433) is 4-bromo-5-(1-cyclopropylethyl)-2-(5-fluoro-3-pyridinyl)-1,3-thiazole;4-bromo-5-(1-cyclopropylethyl)-2-pyridin-3-yl-1,3-thiazole;(E)-1-[4-bromo-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methoxyethanimine;4-bromo-2-(5-fluoro-3-pyridinyl)-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole;(E)-1-(4-bromo-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methoxyethanimine;4-bromo-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole.

What is the SMILES notation for 4-bromo-5-(1-cyclopropylethyl)-2-(5-fluoro-3-pyridinyl)-1,3-thiazole;4-bromo-5-(1-cyclopropylethyl)-2-pyridin-3-yl-1,3-thiazole;(E)-1-[4-bromo-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methoxyethanimine;4-bromo-2-(5-fluoro-3-pyridinyl)-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole;(E)-1-(4-bromo-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methoxyethanimine;4-bromo-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole?

The canonical SMILES for 4-bromo-5-(1-cyclopropylethyl)-2-(5-fluoro-3-pyridinyl)-1,3-thiazole;4-bromo-5-(1-cyclopropylethyl)-2-pyridin-3-yl-1,3-thiazole;(E)-1-[4-bromo-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methoxyethanimine;4-bromo-2-(5-fluoro-3-pyridinyl)-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole;(E)-1-(4-bromo-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methoxyethanimine;4-bromo-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole is CC(c1sc(-c2cccnc2)nc1Br)C(F)(F)F.CC(c1sc(-c2cccnc2)nc1Br)C1CC1.CC(c1sc(-c2cncc(F)c2)nc1Br)C(F)(F)F.CC(c1sc(-c2cncc(F)c2)nc1Br)C1CC1.CO/N=C(\C)c1sc(-c2cccnc2)nc1Br.CO/N=C(\C)c1sc(-c2cncc(F)c2)nc1Br.

What is the InChIKey of 4-bromo-5-(1-cyclopropylethyl)-2-(5-fluoro-3-pyridinyl)-1,3-thiazole;4-bromo-5-(1-cyclopropylethyl)-2-pyridin-3-yl-1,3-thiazole;(E)-1-[4-bromo-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methoxyethanimine;4-bromo-2-(5-fluoro-3-pyridinyl)-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole;(E)-1-(4-bromo-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methoxyethanimine;4-bromo-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole?

The InChIKey is JSKWXXCMKVCOSG-LDRJMCOYSA-N. The full InChI is InChI=1S/C13H12BrFN2S.C13H13BrN2S.C11H7BrF4N2S.C11H8BrF3N2S.C11H9BrFN3OS.C11H10BrN3OS/c1-7(8-2-3-8)11-12(14)17-13(18-11)9-4-10(15)6-16-5-9;1-8(9-4-5-9)11-12(14)16-13(17-11)10-3-2-6-15-7-10;1-5(11(14,15)16)8-9(12)18-10(19-8)6-2-7(13)4-17-3-6;1-6(11(13,14)15)8-9(12)17-10(18-8)7-3-2-4-16-5-7;1-6(16-17-2)9-10(12)15-11(18-9)7-3-8(13)5-14-4-7;1-7(15-16-2)9-10(12)14-11(17-9)8-4-3-5-13-6-8/h4-8H,2-3H2,1H3;2-3,6-9H,4-5H2,1H3;2-5H,1H3;2-6H,1H3;3-5H,1-2H3;3-6H,1-2H3/b;;;;16-6+;15-7+.

What are the key properties of 4-bromo-5-(1-cyclopropylethyl)-2-(5-fluoro-3-pyridinyl)-1,3-thiazole;4-bromo-5-(1-cyclopropylethyl)-2-pyridin-3-yl-1,3-thiazole;(E)-1-[4-bromo-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methoxyethanimine;4-bromo-2-(5-fluoro-3-pyridinyl)-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole;(E)-1-(4-bromo-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methoxyethanimine;4-bromo-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole?

4-bromo-5-(1-cyclopropylethyl)-2-(5-fluoro-3-pyridinyl)-1,3-thiazole;4-bromo-5-(1-cyclopropylethyl)-2-pyridin-3-yl-1,3-thiazole;(E)-1-[4-bromo-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methoxyethanimine;4-bromo-2-(5-fluoro-3-pyridinyl)-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole;(E)-1-(4-bromo-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methoxyethanimine;4-bromo-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole has a molecular weight of 1971.15 g/mol, XLogP of 25.32, 16 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-5-(1-cyclopropylethyl)-2-(5-fluoro-3-pyridinyl)-1,3-thiazole;4-bromo-5-(1-cyclopropylethyl)-2-pyridin-3-yl-1,3-thiazole;(E)-1-[4-bromo-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methoxyethanimine;4-bromo-2-(5-fluoro-3-pyridinyl)-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole;(E)-1-(4-bromo-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methoxyethanimine;4-bromo-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole is sourced from PubChem (CID 172932433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).