5-tert-butyl-2-ethenyl-1H-imidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole);4-tert-butyl-2-fluoro-1,3-thiazole;4-tert-butyl-3-fluoro-1,2-thiazole;5-tert-butyl-2-fluoro-1,3-thiazole;5-tert-butyl-3-fluoro-1,2-thiazole

C86H128F4N12S4 — CID 159725800

About 5-tert-butyl-2-ethenyl-1H-imidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole);4-tert-butyl-2-fluoro-1,3-thiazole;4-tert-butyl-3-fluoro-1,2-thiazole;5-tert-butyl-2-fluoro-1,3-thiazole;5-tert-butyl-3-fluoro-1,2-thiazole

5-tert-butyl-2-ethenyl-1H-imidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole);4-tert-butyl-2-fluoro-1,3-thiazole;4-tert-butyl-3-fluoro-1,2-thiazole;5-tert-butyl-2-fluoro-1,3-thiazole;5-tert-butyl-3-fluoro-1,2-thiazole (PubChem CID 159725800) has the molecular formula C86H128F4N12S4 and a molecular weight of 1534.31 g/mol. Its IUPAC name is 5-tert-butyl-2-ethenyl-1H-imidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole);4-tert-butyl-2-fluoro-1,3-thiazole;4-tert-butyl-3-fluoro-1,2-thiazole;5-tert-butyl-2-fluoro-1,3-thiazole;5-tert-butyl-3-fluoro-1,2-thiazole.

Molecular Properties

• Compound Name: 5-tert-butyl-2-ethenyl-1H-imidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole);4-tert-butyl-2-fluoro-1,3-thiazole;4-tert-butyl-3-fluoro-1,2-thiazole;5-tert-butyl-2-fluoro-1,3-thiazole;5-tert-butyl-3-fluoro-1,2-thiazole
• PubChem CID: 159725800
• Molecular Formula: C86H128F4N12S4
• Molecular Weight: 1534.31 g/mol
• Exact Mass: 1532.92
• IUPAC Name: 5-tert-butyl-2-ethenyl-1H-imidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole);4-tert-butyl-2-fluoro-1,3-thiazole;4-tert-butyl-3-fluoro-1,2-thiazole;5-tert-butyl-2-fluoro-1,3-thiazole;5-tert-butyl-3-fluoro-1,2-thiazole
• SMILES: C=CC1=NC(C(C)(C)C)=CC1.C=CC1=NC(C(C)(C)C)=CC1.C=CC1=NCC=C1C(C)(C)C.C=CC1=NCC=C1C(C)(C)C.C=Cc1cc(C(C)(C)C)[nH]n1.C=Cc1ncc(C(C)(C)C)[nH]1.CC(C)(C)c1cc(F)ns1.CC(C)(C)c1cnc(F)s1.CC(C)(C)c1csc(F)n1.CC(C)(C)c1csnc1F
• InChI: InChI=1S/4C10H15N.2C9H14N2.4C7H10FNS/c2*1-5-9-8(6-7-11-9)10(2,3)4;2*1-5-8-6-7-9(11-8)10(2,3)4;1-5-8-10-6-7(11-8)9(2,3)4;1-5-7-6-8(11-10-7)9(2,3)4;1-7(2,3)5-4-10-6(8)9-5;1-7(2,3)5-4-9-6(8)10-5;1-7(2,3)5-4-10-9-6(5)8;1-7(2,3)5-4-6(8)9-10-5/h2*5-6H,1,7H2,2-4H3;2*5,7H,1,6H2,2-4H3;2*5-6H,1H2,2-4H3,(H,10,11);4*4H,1-3H3
• InChIKey: NAPPOFDBPKLISC-UHFFFAOYSA-N
• XLogP: 26.11
• TPSA: 158.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 6
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1534.31
LogP ≤ 5	26.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-ethenyl-1H-imidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole);4-tert-butyl-2-fluoro-1,3-thiazole;4-tert-butyl-3-fluoro-1,2-thiazole;5-tert-butyl-2-fluoro-1,3-thiazole;5-tert-butyl-3-fluoro-1,2-thiazole?

The IUPAC name of 5-tert-butyl-2-ethenyl-1H-imidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole);4-tert-butyl-2-fluoro-1,3-thiazole;4-tert-butyl-3-fluoro-1,2-thiazole;5-tert-butyl-2-fluoro-1,3-thiazole;5-tert-butyl-3-fluoro-1,2-thiazole (CID 159725800) is 5-tert-butyl-2-ethenyl-1H-imidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole);4-tert-butyl-2-fluoro-1,3-thiazole;4-tert-butyl-3-fluoro-1,2-thiazole;5-tert-butyl-2-fluoro-1,3-thiazole;5-tert-butyl-3-fluoro-1,2-thiazole.

What is the SMILES notation for 5-tert-butyl-2-ethenyl-1H-imidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole);4-tert-butyl-2-fluoro-1,3-thiazole;4-tert-butyl-3-fluoro-1,2-thiazole;5-tert-butyl-2-fluoro-1,3-thiazole;5-tert-butyl-3-fluoro-1,2-thiazole?

The canonical SMILES for 5-tert-butyl-2-ethenyl-1H-imidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole);4-tert-butyl-2-fluoro-1,3-thiazole;4-tert-butyl-3-fluoro-1,2-thiazole;5-tert-butyl-2-fluoro-1,3-thiazole;5-tert-butyl-3-fluoro-1,2-thiazole is C=CC1=NC(C(C)(C)C)=CC1.C=CC1=NC(C(C)(C)C)=CC1.C=CC1=NCC=C1C(C)(C)C.C=CC1=NCC=C1C(C)(C)C.C=Cc1cc(C(C)(C)C)[nH]n1.C=Cc1ncc(C(C)(C)C)[nH]1.CC(C)(C)c1cc(F)ns1.CC(C)(C)c1cnc(F)s1.CC(C)(C)c1csc(F)n1.CC(C)(C)c1csnc1F.

What is the InChIKey of 5-tert-butyl-2-ethenyl-1H-imidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole);4-tert-butyl-2-fluoro-1,3-thiazole;4-tert-butyl-3-fluoro-1,2-thiazole;5-tert-butyl-2-fluoro-1,3-thiazole;5-tert-butyl-3-fluoro-1,2-thiazole?

The InChIKey is NAPPOFDBPKLISC-UHFFFAOYSA-N. The full InChI is InChI=1S/4C10H15N.2C9H14N2.4C7H10FNS/c2*1-5-9-8(6-7-11-9)10(2,3)4;2*1-5-8-6-7-9(11-8)10(2,3)4;1-5-8-10-6-7(11-8)9(2,3)4;1-5-7-6-8(11-10-7)9(2,3)4;1-7(2,3)5-4-10-6(8)9-5;1-7(2,3)5-4-9-6(8)10-5;1-7(2,3)5-4-10-9-6(5)8;1-7(2,3)5-4-6(8)9-10-5/h2*5-6H,1,7H2,2-4H3;2*5,7H,1,6H2,2-4H3;2*5-6H,1H2,2-4H3,(H,10,11);4*4H,1-3H3.

What are the key properties of 5-tert-butyl-2-ethenyl-1H-imidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole);4-tert-butyl-2-fluoro-1,3-thiazole;4-tert-butyl-3-fluoro-1,2-thiazole;5-tert-butyl-2-fluoro-1,3-thiazole;5-tert-butyl-3-fluoro-1,2-thiazole?

5-tert-butyl-2-ethenyl-1H-imidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole);4-tert-butyl-2-fluoro-1,3-thiazole;4-tert-butyl-3-fluoro-1,2-thiazole;5-tert-butyl-2-fluoro-1,3-thiazole;5-tert-butyl-3-fluoro-1,2-thiazole has a molecular weight of 1534.31 g/mol, XLogP of 26.11, 6 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-2-ethenyl-1H-imidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole);4-tert-butyl-2-fluoro-1,3-thiazole;4-tert-butyl-3-fluoro-1,2-thiazole;5-tert-butyl-2-fluoro-1,3-thiazole;5-tert-butyl-3-fluoro-1,2-thiazole is sourced from PubChem (CID 159725800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).