2-bromo-5-(2,2-dimethylpropyl)-1,3-thiazole;2-chloro-5-(2,2-dimethylpropyl)pyridine;2-chloro-5-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-methylpyridine;5-(2,2-dimethylpropyl)-2-methylpyrimidine;5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;5-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)-1,3-thiazole

C₈₃H₁₂₇BrCl₂FN₁₁S₄ — CID 159545511

About 2-bromo-5-(2,2-dimethylpropyl)-1,3-thiazole;2-chloro-5-(2,2-dimethylpropyl)pyridine;2-chloro-5-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-methylpyridine;5-(2,2-dimethylpropyl)-2-methylpyrimidine;5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;5-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)-1,3-thiazole

2-bromo-5-(2,2-dimethylpropyl)-1,3-thiazole;2-chloro-5-(2,2-dimethylpropyl)pyridine;2-chloro-5-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-methylpyridine;5-(2,2-dimethylpropyl)-2-methylpyrimidine;5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;5-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)-1,3-thiazole (PubChem CID 159545511) has the molecular formula C₈₃H₁₂₇BrCl₂FN₁₁S₄ and a molecular weight of 1577.08 g/mol. Its IUPAC name is 2-bromo-5-(2,2-dimethylpropyl)-1,3-thiazole;2-chloro-5-(2,2-dimethylpropyl)pyridine;2-chloro-5-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-methylpyridine;5-(2,2-dimethylpropyl)-2-methylpyrimidine;5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;5-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)-1,3-thiazole.

Molecular Properties

• Compound Name: 2-bromo-5-(2,2-dimethylpropyl)-1,3-thiazole;2-chloro-5-(2,2-dimethylpropyl)pyridine;2-chloro-5-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-methylpyridine;5-(2,2-dimethylpropyl)-2-methylpyrimidine;5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;5-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)-1,3-thiazole
• PubChem CID: 159545511
• Molecular Formula: C₈₃H₁₂₇BrCl₂FN₁₁S₄
• Molecular Weight: 1577.08 g/mol
• Exact Mass: 1573.77
• IUPAC Name: 2-bromo-5-(2,2-dimethylpropyl)-1,3-thiazole;2-chloro-5-(2,2-dimethylpropyl)pyridine;2-chloro-5-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-methylpyridine;5-(2,2-dimethylpropyl)-2-methylpyrimidine;5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;5-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)-1,3-thiazole
• SMILES: CC(C)(C)Cc1ccc(Cl)nc1.CC(C)(C)Cc1ccc(F)nc1.CC(C)(C)Cc1cnc(Br)s1.CC(C)(C)Cc1cnc(Cl)s1.CC(C)(C)Cc1cncnc1.CC(C)(C)Cc1cncs1.Cc1ccc(CC(C)(C)C)cn1.Cc1ncc(CC(C)(C)C)cn1.Cc1ncc(CC(C)(C)C)s1
• InChI: InChI=1S/C11H17N.C10H14ClN.C10H14FN.C10H16N2.C9H14N2.C9H15NS.C8H12BrNS.C8H12ClNS.C8H13NS/c1-9-5-6-10(8-12-9)7-11(2,3)4;2*1-10(2,3)6-8-4-5-9(11)12-7-8;1-8-11-6-9(7-12-8)5-10(2,3)4;1-9(2,3)4-8-5-10-7-11-6-8;1-7-10-6-8(11-7)5-9(2,3)4;2*1-8(2,3)4-6-5-10-7(9)11-6;1-8(2,3)4-7-5-9-6-10-7/h5-6,8H,7H2,1-4H3;2*4-5,7H,6H2,1-3H3;6-7H,5H2,1-4H3;5-7H,4H2,1-3H3;6H,5H2,1-4H3;2*5H,4H2,1-3H3;5-6H,4H2,1-3H3
• InChIKey: METCDWYHFBRNMR-UHFFFAOYSA-N
• XLogP: 26.20
• TPSA: 141.79 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1577.08
LogP ≤ 5	26.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(2,2-dimethylpropyl)-1,3-thiazole;2-chloro-5-(2,2-dimethylpropyl)pyridine;2-chloro-5-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-methylpyridine;5-(2,2-dimethylpropyl)-2-methylpyrimidine;5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;5-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)-1,3-thiazole?

The IUPAC name of 2-bromo-5-(2,2-dimethylpropyl)-1,3-thiazole;2-chloro-5-(2,2-dimethylpropyl)pyridine;2-chloro-5-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-methylpyridine;5-(2,2-dimethylpropyl)-2-methylpyrimidine;5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;5-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)-1,3-thiazole (CID 159545511) is 2-bromo-5-(2,2-dimethylpropyl)-1,3-thiazole;2-chloro-5-(2,2-dimethylpropyl)pyridine;2-chloro-5-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-methylpyridine;5-(2,2-dimethylpropyl)-2-methylpyrimidine;5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;5-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)-1,3-thiazole.

What is the SMILES notation for 2-bromo-5-(2,2-dimethylpropyl)-1,3-thiazole;2-chloro-5-(2,2-dimethylpropyl)pyridine;2-chloro-5-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-methylpyridine;5-(2,2-dimethylpropyl)-2-methylpyrimidine;5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;5-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)-1,3-thiazole?

The canonical SMILES for 2-bromo-5-(2,2-dimethylpropyl)-1,3-thiazole;2-chloro-5-(2,2-dimethylpropyl)pyridine;2-chloro-5-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-methylpyridine;5-(2,2-dimethylpropyl)-2-methylpyrimidine;5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;5-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)-1,3-thiazole is CC(C)(C)Cc1ccc(Cl)nc1.CC(C)(C)Cc1ccc(F)nc1.CC(C)(C)Cc1cnc(Br)s1.CC(C)(C)Cc1cnc(Cl)s1.CC(C)(C)Cc1cncnc1.CC(C)(C)Cc1cncs1.Cc1ccc(CC(C)(C)C)cn1.Cc1ncc(CC(C)(C)C)cn1.Cc1ncc(CC(C)(C)C)s1.

What is the InChIKey of 2-bromo-5-(2,2-dimethylpropyl)-1,3-thiazole;2-chloro-5-(2,2-dimethylpropyl)pyridine;2-chloro-5-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-methylpyridine;5-(2,2-dimethylpropyl)-2-methylpyrimidine;5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;5-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)-1,3-thiazole?

The InChIKey is METCDWYHFBRNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.C10H14ClN.C10H14FN.C10H16N2.C9H14N2.C9H15NS.C8H12BrNS.C8H12ClNS.C8H13NS/c1-9-5-6-10(8-12-9)7-11(2,3)4;2*1-10(2,3)6-8-4-5-9(11)12-7-8;1-8-11-6-9(7-12-8)5-10(2,3)4;1-9(2,3)4-8-5-10-7-11-6-8;1-7-10-6-8(11-7)5-9(2,3)4;2*1-8(2,3)4-6-5-10-7(9)11-6;1-8(2,3)4-7-5-9-6-10-7/h5-6,8H,7H2,1-4H3;2*4-5,7H,6H2,1-3H3;6-7H,5H2,1-4H3;5-7H,4H2,1-3H3;6H,5H2,1-4H3;2*5H,4H2,1-3H3;5-6H,4H2,1-3H3.

What are the key properties of 2-bromo-5-(2,2-dimethylpropyl)-1,3-thiazole;2-chloro-5-(2,2-dimethylpropyl)pyridine;2-chloro-5-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-methylpyridine;5-(2,2-dimethylpropyl)-2-methylpyrimidine;5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;5-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)-1,3-thiazole?

2-bromo-5-(2,2-dimethylpropyl)-1,3-thiazole;2-chloro-5-(2,2-dimethylpropyl)pyridine;2-chloro-5-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-methylpyridine;5-(2,2-dimethylpropyl)-2-methylpyrimidine;5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;5-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)-1,3-thiazole has a molecular weight of 1577.08 g/mol, XLogP of 26.20, 9 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-5-(2,2-dimethylpropyl)-1,3-thiazole;2-chloro-5-(2,2-dimethylpropyl)pyridine;2-chloro-5-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-methylpyridine;5-(2,2-dimethylpropyl)-2-methylpyrimidine;5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;5-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)-1,3-thiazole is sourced from PubChem (CID 159545511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159545511 — identifiers, structure, computed properties (public domain)

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