3-bromo-2-propan-2-ylthiophene;2-chloro-3-propan-2-ylcyclopenta-1,3-diene;3-cyclopropyl-2-propan-2-ylthiophene;1,5-dimethyl-4-propan-2-ylimidazole;1,3-dimethyl-2-propan-2-ylpyrrole;3-ethenyl-2-propan-2-ylthiophene;3-ethyl-2-propan-2-ylthiophene;2-isocyano-3-propan-2-ylcyclopenta-1,3-diene;3-methyl-2-propan-2-ylfuran;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;bis(3-methyl-2-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-4H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2-oxazole;3-propan-2-yl-4H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylthiophene

C177H268BrClN20O5S8 — CID 167637045

About 3-bromo-2-propan-2-ylthiophene;2-chloro-3-propan-2-ylcyclopenta-1,3-diene;3-cyclopropyl-2-propan-2-ylthiophene;1,5-dimethyl-4-propan-2-ylimidazole;1,3-dimethyl-2-propan-2-ylpyrrole;3-ethenyl-2-propan-2-ylthiophene;3-ethyl-2-propan-2-ylthiophene;2-isocyano-3-propan-2-ylcyclopenta-1,3-diene;3-methyl-2-propan-2-ylfuran;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;bis(3-methyl-2-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-4H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2-oxazole;3-propan-2-yl-4H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylthiophene

3-bromo-2-propan-2-ylthiophene;2-chloro-3-propan-2-ylcyclopenta-1,3-diene;3-cyclopropyl-2-propan-2-ylthiophene;1,5-dimethyl-4-propan-2-ylimidazole;1,3-dimethyl-2-propan-2-ylpyrrole;3-ethenyl-2-propan-2-ylthiophene;3-ethyl-2-propan-2-ylthiophene;2-isocyano-3-propan-2-ylcyclopenta-1,3-diene;3-methyl-2-propan-2-ylfuran;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;bis(3-methyl-2-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-4H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2-oxazole;3-propan-2-yl-4H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylthiophene (PubChem CID 167637045) has the molecular formula C177H268BrClN20O5S8 and a molecular weight of 3128.12 g/mol. Its IUPAC name is 3-bromo-2-propan-2-ylthiophene;2-chloro-3-propan-2-ylcyclopenta-1,3-diene;3-cyclopropyl-2-propan-2-ylthiophene;1,5-dimethyl-4-propan-2-ylimidazole;1,3-dimethyl-2-propan-2-ylpyrrole;3-ethenyl-2-propan-2-ylthiophene;3-ethyl-2-propan-2-ylthiophene;2-isocyano-3-propan-2-ylcyclopenta-1,3-diene;3-methyl-2-propan-2-ylfuran;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;bis(3-methyl-2-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-4H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2-oxazole;3-propan-2-yl-4H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylthiophene.

Molecular Properties

• Compound Name: 3-bromo-2-propan-2-ylthiophene;2-chloro-3-propan-2-ylcyclopenta-1,3-diene;3-cyclopropyl-2-propan-2-ylthiophene;1,5-dimethyl-4-propan-2-ylimidazole;1,3-dimethyl-2-propan-2-ylpyrrole;3-ethenyl-2-propan-2-ylthiophene;3-ethyl-2-propan-2-ylthiophene;2-isocyano-3-propan-2-ylcyclopenta-1,3-diene;3-methyl-2-propan-2-ylfuran;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;bis(3-methyl-2-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-4H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2-oxazole;3-propan-2-yl-4H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylthiophene
• PubChem CID: 167637045
• Molecular Formula: C177H268BrClN20O5S8
• Molecular Weight: 3128.12 g/mol
• Exact Mass: 3123.80
• IUPAC Name: 3-bromo-2-propan-2-ylthiophene;2-chloro-3-propan-2-ylcyclopenta-1,3-diene;3-cyclopropyl-2-propan-2-ylthiophene;1,5-dimethyl-4-propan-2-ylimidazole;1,3-dimethyl-2-propan-2-ylpyrrole;3-ethenyl-2-propan-2-ylthiophene;3-ethyl-2-propan-2-ylthiophene;2-isocyano-3-propan-2-ylcyclopenta-1,3-diene;3-methyl-2-propan-2-ylfuran;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;bis(3-methyl-2-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-4H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2-oxazole;3-propan-2-yl-4H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylthiophene
• SMILES: C=Cc1ccsc1C(C)C.CC(C)C1=CCC=C1.CC(C)C1=CCC=C1Cl.CC(C)C1=NCC=N1.CC(C)C1=NN=CC1.CC(C)c1cccn1C.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn[nH]1.CC(C)c1ccn[nH]1.CC(C)c1ccnn1C.CC(C)c1ccno1.CC(C)c1ccoc1.CC(C)c1ncon1.CC(C)c1nncs1.CC(C)c1sccc1Br.CC(C)c1sccc1C1CC1.CCc1ccsc1C(C)C.Cc1c(C(C)C)ncn1C.Cc1ccn(C)c1C(C)C.Cc1ccoc1C(C)C.Cc1ccsc1C(C)C.Cc1ccsc1C(C)C.[C-]#[N+]C1=CCC=C1C(C)C
• InChI: InChI=1S/C10H14S.C9H15N.C9H11N.C9H14S.C9H12S.C8H11Cl.C8H14N2.C8H13N.C8H12O.2C8H12S.C8H12.C7H9BrS.C7H12N2.2C7H10O.C7H10S.4C6H10N2.C6H9NO.C5H8N2O.C5H8N2S/c1-7(2)10-9(5-6-11-10)8-3-4-8;1-7(2)9-8(3)5-6-10(9)4;1-7(2)8-5-4-6-9(8)10-3;2*1-4-8-5-6-10-9(8)7(2)3;1-6(2)7-4-3-5-8(7)9;1-6(2)8-7(3)10(4)5-9-8;1-7(2)8-5-4-6-9(8)3;3*1-6(2)8-7(3)4-5-9-8;1-7(2)8-5-3-4-6-8;1-5(2)7-6(8)3-4-9-7;1-6(2)7-4-5-8-9(7)3;1-6(2)7-3-4-8-5-7;2*1-6(2)7-4-3-5-8-7;1-5(2)6-7-3-4-8-6;4*1-5(2)6-3-4-7-8-6;1-4(2)5-6-3-8-7-5;1-4(2)5-7-6-3-8-5/h5-8H,3-4H2,1-2H3;5-7H,1-4H3;5-7H,4H2,1-2H3;5-7H,4H2,1-3H3;4-7H,1H2,2-3H3;4-6H,3H2,1-2H3;5-6H,1-4H3;4-7H,1-3H3;3*4-6H,1-3H3;3,5-7H,4H2,1-2H3;3-5H,1-2H3;4-6H,1-3H3;3*3-6H,1-2H3;3,5H,4H2,1-2H3;4-5H,3H2,1-2H3;2*3-5H,1-2H3,(H,7,8);3-5H,1-2H3;2*3-4H,1-2H3
• InChIKey: OPWGLHSSGAGVEK-UHFFFAOYSA-N
• XLogP: 57.80
• TPSA: 286.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 30
• Rotatable Bonds: 27
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3128.12
LogP ≤ 5	57.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-propan-2-ylthiophene;2-chloro-3-propan-2-ylcyclopenta-1,3-diene;3-cyclopropyl-2-propan-2-ylthiophene;1,5-dimethyl-4-propan-2-ylimidazole;1,3-dimethyl-2-propan-2-ylpyrrole;3-ethenyl-2-propan-2-ylthiophene;3-ethyl-2-propan-2-ylthiophene;2-isocyano-3-propan-2-ylcyclopenta-1,3-diene;3-methyl-2-propan-2-ylfuran;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;bis(3-methyl-2-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-4H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2-oxazole;3-propan-2-yl-4H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylthiophene?

The IUPAC name of 3-bromo-2-propan-2-ylthiophene;2-chloro-3-propan-2-ylcyclopenta-1,3-diene;3-cyclopropyl-2-propan-2-ylthiophene;1,5-dimethyl-4-propan-2-ylimidazole;1,3-dimethyl-2-propan-2-ylpyrrole;3-ethenyl-2-propan-2-ylthiophene;3-ethyl-2-propan-2-ylthiophene;2-isocyano-3-propan-2-ylcyclopenta-1,3-diene;3-methyl-2-propan-2-ylfuran;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;bis(3-methyl-2-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-4H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2-oxazole;3-propan-2-yl-4H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylthiophene (CID 167637045) is 3-bromo-2-propan-2-ylthiophene;2-chloro-3-propan-2-ylcyclopenta-1,3-diene;3-cyclopropyl-2-propan-2-ylthiophene;1,5-dimethyl-4-propan-2-ylimidazole;1,3-dimethyl-2-propan-2-ylpyrrole;3-ethenyl-2-propan-2-ylthiophene;3-ethyl-2-propan-2-ylthiophene;2-isocyano-3-propan-2-ylcyclopenta-1,3-diene;3-methyl-2-propan-2-ylfuran;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;bis(3-methyl-2-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-4H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2-oxazole;3-propan-2-yl-4H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylthiophene.

What is the SMILES notation for 3-bromo-2-propan-2-ylthiophene;2-chloro-3-propan-2-ylcyclopenta-1,3-diene;3-cyclopropyl-2-propan-2-ylthiophene;1,5-dimethyl-4-propan-2-ylimidazole;1,3-dimethyl-2-propan-2-ylpyrrole;3-ethenyl-2-propan-2-ylthiophene;3-ethyl-2-propan-2-ylthiophene;2-isocyano-3-propan-2-ylcyclopenta-1,3-diene;3-methyl-2-propan-2-ylfuran;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;bis(3-methyl-2-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-4H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2-oxazole;3-propan-2-yl-4H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylthiophene?

The canonical SMILES for 3-bromo-2-propan-2-ylthiophene;2-chloro-3-propan-2-ylcyclopenta-1,3-diene;3-cyclopropyl-2-propan-2-ylthiophene;1,5-dimethyl-4-propan-2-ylimidazole;1,3-dimethyl-2-propan-2-ylpyrrole;3-ethenyl-2-propan-2-ylthiophene;3-ethyl-2-propan-2-ylthiophene;2-isocyano-3-propan-2-ylcyclopenta-1,3-diene;3-methyl-2-propan-2-ylfuran;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;bis(3-methyl-2-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-4H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2-oxazole;3-propan-2-yl-4H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylthiophene is C=Cc1ccsc1C(C)C.CC(C)C1=CCC=C1.CC(C)C1=CCC=C1Cl.CC(C)C1=NCC=N1.CC(C)C1=NN=CC1.CC(C)c1cccn1C.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn[nH]1.CC(C)c1ccn[nH]1.CC(C)c1ccnn1C.CC(C)c1ccno1.CC(C)c1ccoc1.CC(C)c1ncon1.CC(C)c1nncs1.CC(C)c1sccc1Br.CC(C)c1sccc1C1CC1.CCc1ccsc1C(C)C.Cc1c(C(C)C)ncn1C.Cc1ccn(C)c1C(C)C.Cc1ccoc1C(C)C.Cc1ccsc1C(C)C.Cc1ccsc1C(C)C.[C-]#[N+]C1=CCC=C1C(C)C.

What is the InChIKey of 3-bromo-2-propan-2-ylthiophene;2-chloro-3-propan-2-ylcyclopenta-1,3-diene;3-cyclopropyl-2-propan-2-ylthiophene;1,5-dimethyl-4-propan-2-ylimidazole;1,3-dimethyl-2-propan-2-ylpyrrole;3-ethenyl-2-propan-2-ylthiophene;3-ethyl-2-propan-2-ylthiophene;2-isocyano-3-propan-2-ylcyclopenta-1,3-diene;3-methyl-2-propan-2-ylfuran;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;bis(3-methyl-2-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-4H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2-oxazole;3-propan-2-yl-4H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylthiophene?

The InChIKey is OPWGLHSSGAGVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14S.C9H15N.C9H11N.C9H14S.C9H12S.C8H11Cl.C8H14N2.C8H13N.C8H12O.2C8H12S.C8H12.C7H9BrS.C7H12N2.2C7H10O.C7H10S.4C6H10N2.C6H9NO.C5H8N2O.C5H8N2S/c1-7(2)10-9(5-6-11-10)8-3-4-8;1-7(2)9-8(3)5-6-10(9)4;1-7(2)8-5-4-6-9(8)10-3;2*1-4-8-5-6-10-9(8)7(2)3;1-6(2)7-4-3-5-8(7)9;1-6(2)8-7(3)10(4)5-9-8;1-7(2)8-5-4-6-9(8)3;3*1-6(2)8-7(3)4-5-9-8;1-7(2)8-5-3-4-6-8;1-5(2)7-6(8)3-4-9-7;1-6(2)7-4-5-8-9(7)3;1-6(2)7-3-4-8-5-7;2*1-6(2)7-4-3-5-8-7;1-5(2)6-7-3-4-8-6;4*1-5(2)6-3-4-7-8-6;1-4(2)5-6-3-8-7-5;1-4(2)5-7-6-3-8-5/h5-8H,3-4H2,1-2H3;5-7H,1-4H3;5-7H,4H2,1-2H3;5-7H,4H2,1-3H3;4-7H,1H2,2-3H3;4-6H,3H2,1-2H3;5-6H,1-4H3;4-7H,1-3H3;3*4-6H,1-3H3;3,5-7H,4H2,1-2H3;3-5H,1-2H3;4-6H,1-3H3;3*3-6H,1-2H3;3,5H,4H2,1-2H3;4-5H,3H2,1-2H3;2*3-5H,1-2H3,(H,7,8);3-5H,1-2H3;2*3-4H,1-2H3.

What are the key properties of 3-bromo-2-propan-2-ylthiophene;2-chloro-3-propan-2-ylcyclopenta-1,3-diene;3-cyclopropyl-2-propan-2-ylthiophene;1,5-dimethyl-4-propan-2-ylimidazole;1,3-dimethyl-2-propan-2-ylpyrrole;3-ethenyl-2-propan-2-ylthiophene;3-ethyl-2-propan-2-ylthiophene;2-isocyano-3-propan-2-ylcyclopenta-1,3-diene;3-methyl-2-propan-2-ylfuran;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;bis(3-methyl-2-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-4H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2-oxazole;3-propan-2-yl-4H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylthiophene?

3-bromo-2-propan-2-ylthiophene;2-chloro-3-propan-2-ylcyclopenta-1,3-diene;3-cyclopropyl-2-propan-2-ylthiophene;1,5-dimethyl-4-propan-2-ylimidazole;1,3-dimethyl-2-propan-2-ylpyrrole;3-ethenyl-2-propan-2-ylthiophene;3-ethyl-2-propan-2-ylthiophene;2-isocyano-3-propan-2-ylcyclopenta-1,3-diene;3-methyl-2-propan-2-ylfuran;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;bis(3-methyl-2-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-4H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2-oxazole;3-propan-2-yl-4H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylthiophene has a molecular weight of 3128.12 g/mol, XLogP of 57.80, 27 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-2-propan-2-ylthiophene;2-chloro-3-propan-2-ylcyclopenta-1,3-diene;3-cyclopropyl-2-propan-2-ylthiophene;1,5-dimethyl-4-propan-2-ylimidazole;1,3-dimethyl-2-propan-2-ylpyrrole;3-ethenyl-2-propan-2-ylthiophene;3-ethyl-2-propan-2-ylthiophene;2-isocyano-3-propan-2-ylcyclopenta-1,3-diene;3-methyl-2-propan-2-ylfuran;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;bis(3-methyl-2-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-4H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2-oxazole;3-propan-2-yl-4H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylthiophene is sourced from PubChem (CID 167637045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).