2-tert-butyl-5-cyclopropylthiophene;4-tert-butyl-2-(2,2-difluoropropyl)triazole;4-tert-butyl-2,5-dimethyl-1,3-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;2-tert-butyl-4-methyl-1,3-thiazole;5-tert-butylpyrimidine;cumene;2-cyclopropyl-5-propan-2-yl-3H-pyrrole;3,4-dimethyl-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;2,4-dimethyl-1-propan-2-ylpyrrole;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine;3-propan-2-ylfuran;1-propan-2-ylimidazole;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-3H-pyrrole

C141H229F2N25OS4 — CID 161130887

About 2-tert-butyl-5-cyclopropylthiophene;4-tert-butyl-2-(2,2-difluoropropyl)triazole;4-tert-butyl-2,5-dimethyl-1,3-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;2-tert-butyl-4-methyl-1,3-thiazole;5-tert-butylpyrimidine;cumene;2-cyclopropyl-5-propan-2-yl-3H-pyrrole;3,4-dimethyl-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;2,4-dimethyl-1-propan-2-ylpyrrole;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine;3-propan-2-ylfuran;1-propan-2-ylimidazole;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-3H-pyrrole

2-tert-butyl-5-cyclopropylthiophene;4-tert-butyl-2-(2,2-difluoropropyl)triazole;4-tert-butyl-2,5-dimethyl-1,3-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;2-tert-butyl-4-methyl-1,3-thiazole;5-tert-butylpyrimidine;cumene;2-cyclopropyl-5-propan-2-yl-3H-pyrrole;3,4-dimethyl-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;2,4-dimethyl-1-propan-2-ylpyrrole;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine;3-propan-2-ylfuran;1-propan-2-ylimidazole;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-3H-pyrrole (PubChem CID 161130887) has the molecular formula C141H229F2N25OS4 and a molecular weight of 2456.82 g/mol. Its IUPAC name is 2-tert-butyl-5-cyclopropylthiophene;4-tert-butyl-2-(2,2-difluoropropyl)triazole;4-tert-butyl-2,5-dimethyl-1,3-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;2-tert-butyl-4-methyl-1,3-thiazole;5-tert-butylpyrimidine;cumene;2-cyclopropyl-5-propan-2-yl-3H-pyrrole;3,4-dimethyl-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;2,4-dimethyl-1-propan-2-ylpyrrole;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine;3-propan-2-ylfuran;1-propan-2-ylimidazole;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-3H-pyrrole.

Molecular Properties

• Compound Name: 2-tert-butyl-5-cyclopropylthiophene;4-tert-butyl-2-(2,2-difluoropropyl)triazole;4-tert-butyl-2,5-dimethyl-1,3-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;2-tert-butyl-4-methyl-1,3-thiazole;5-tert-butylpyrimidine;cumene;2-cyclopropyl-5-propan-2-yl-3H-pyrrole;3,4-dimethyl-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;2,4-dimethyl-1-propan-2-ylpyrrole;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine;3-propan-2-ylfuran;1-propan-2-ylimidazole;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-3H-pyrrole
• PubChem CID: 161130887
• Molecular Formula: C141H229F2N25OS4
• Molecular Weight: 2456.82 g/mol
• Exact Mass: 2454.75
• IUPAC Name: 2-tert-butyl-5-cyclopropylthiophene;4-tert-butyl-2-(2,2-difluoropropyl)triazole;4-tert-butyl-2,5-dimethyl-1,3-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;2-tert-butyl-4-methyl-1,3-thiazole;5-tert-butylpyrimidine;cumene;2-cyclopropyl-5-propan-2-yl-3H-pyrrole;3,4-dimethyl-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;2,4-dimethyl-1-propan-2-ylpyrrole;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine;3-propan-2-ylfuran;1-propan-2-ylimidazole;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-3H-pyrrole
• SMILES: CC(C)(C)c1ccc(C2CC2)s1.CC(C)(C)c1cncnc1.CC(C)C1=CCC(C2CC2)=N1.CC(C)C1=CCC=N1.CC(C)c1ccccc1.CC(C)c1ccn[nH]1.CC(C)c1ccoc1.CC(C)n1ccnc1.CC(C)n1cnc(CN(C)C)n1.CC(F)(F)Cn1ncc(C(C)(C)C)n1.CCCn1cc(C(C)C)cn1.Cc1cc(C)n(C(C)C)c1.Cc1cc(C)n(C(C)C)n1.Cc1cn(C(C)C)nc1C.Cc1csc(C(C)(C)C)n1.Cc1nc(C(C)(C)C)c(C)s1.Cc1nc(C)c(C(C)(C)C)s1
• InChI: InChI=1S/C11H16S.C10H15N.C9H15F2N3.C9H16N2.2C9H15NS.C9H15N.C9H12.C8H16N4.C8H12N2.2C8H14N2.C8H13NS.C7H11N.C7H10O.2C6H10N2/c1-11(2,3)10-7-6-9(12-10)8-4-5-8;1-7(2)9-5-6-10(11-9)8-3-4-8;1-8(2,3)7-5-12-14(13-7)6-9(4,10)11;1-4-5-11-7-9(6-10-11)8(2)3;1-6-8(9(3,4)5)10-7(2)11-6;1-6-8(9(3,4)5)11-7(2)10-6;1-7(2)10-6-8(3)5-9(10)4;1-8(2)9-6-4-3-5-7-9;1-7(2)12-6-9-8(10-12)5-11(3)4;1-8(2,3)7-4-9-6-10-5-7;1-6(2)10-5-7(3)8(4)9-10;1-6(2)10-8(4)5-7(3)9-10;1-6-5-10-7(9-6)8(2,3)4;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)8-4-3-7-5-8;1-5(2)6-3-4-7-8-6/h6-8H,4-5H2,1-3H3;5,7-8H,3-4,6H2,1-2H3;5H,6H2,1-4H3;6-8H,4-5H2,1-3H3;2*1-5H3;5-7H,1-4H3;3-8H,1-2H3;6-7H,5H2,1-4H3;4-6H,1-3H3;2*5-6H,1-4H3;5H,1-4H3;4-6H,3H2,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3,(H,7,8)
• InChIKey: UMDZCFLBZDQBMY-UHFFFAOYSA-N
• XLogP: 39.97
• TPSA: 271.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 29
• Rotatable Bonds: 19
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2456.82
LogP ≤ 5	39.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-cyclopropylthiophene;4-tert-butyl-2-(2,2-difluoropropyl)triazole;4-tert-butyl-2,5-dimethyl-1,3-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;2-tert-butyl-4-methyl-1,3-thiazole;5-tert-butylpyrimidine;cumene;2-cyclopropyl-5-propan-2-yl-3H-pyrrole;3,4-dimethyl-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;2,4-dimethyl-1-propan-2-ylpyrrole;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine;3-propan-2-ylfuran;1-propan-2-ylimidazole;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-3H-pyrrole?

The IUPAC name of 2-tert-butyl-5-cyclopropylthiophene;4-tert-butyl-2-(2,2-difluoropropyl)triazole;4-tert-butyl-2,5-dimethyl-1,3-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;2-tert-butyl-4-methyl-1,3-thiazole;5-tert-butylpyrimidine;cumene;2-cyclopropyl-5-propan-2-yl-3H-pyrrole;3,4-dimethyl-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;2,4-dimethyl-1-propan-2-ylpyrrole;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine;3-propan-2-ylfuran;1-propan-2-ylimidazole;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-3H-pyrrole (CID 161130887) is 2-tert-butyl-5-cyclopropylthiophene;4-tert-butyl-2-(2,2-difluoropropyl)triazole;4-tert-butyl-2,5-dimethyl-1,3-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;2-tert-butyl-4-methyl-1,3-thiazole;5-tert-butylpyrimidine;cumene;2-cyclopropyl-5-propan-2-yl-3H-pyrrole;3,4-dimethyl-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;2,4-dimethyl-1-propan-2-ylpyrrole;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine;3-propan-2-ylfuran;1-propan-2-ylimidazole;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-3H-pyrrole.

What is the SMILES notation for 2-tert-butyl-5-cyclopropylthiophene;4-tert-butyl-2-(2,2-difluoropropyl)triazole;4-tert-butyl-2,5-dimethyl-1,3-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;2-tert-butyl-4-methyl-1,3-thiazole;5-tert-butylpyrimidine;cumene;2-cyclopropyl-5-propan-2-yl-3H-pyrrole;3,4-dimethyl-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;2,4-dimethyl-1-propan-2-ylpyrrole;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine;3-propan-2-ylfuran;1-propan-2-ylimidazole;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-3H-pyrrole?

The canonical SMILES for 2-tert-butyl-5-cyclopropylthiophene;4-tert-butyl-2-(2,2-difluoropropyl)triazole;4-tert-butyl-2,5-dimethyl-1,3-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;2-tert-butyl-4-methyl-1,3-thiazole;5-tert-butylpyrimidine;cumene;2-cyclopropyl-5-propan-2-yl-3H-pyrrole;3,4-dimethyl-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;2,4-dimethyl-1-propan-2-ylpyrrole;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine;3-propan-2-ylfuran;1-propan-2-ylimidazole;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-3H-pyrrole is CC(C)(C)c1ccc(C2CC2)s1.CC(C)(C)c1cncnc1.CC(C)C1=CCC(C2CC2)=N1.CC(C)C1=CCC=N1.CC(C)c1ccccc1.CC(C)c1ccn[nH]1.CC(C)c1ccoc1.CC(C)n1ccnc1.CC(C)n1cnc(CN(C)C)n1.CC(F)(F)Cn1ncc(C(C)(C)C)n1.CCCn1cc(C(C)C)cn1.Cc1cc(C)n(C(C)C)c1.Cc1cc(C)n(C(C)C)n1.Cc1cn(C(C)C)nc1C.Cc1csc(C(C)(C)C)n1.Cc1nc(C(C)(C)C)c(C)s1.Cc1nc(C)c(C(C)(C)C)s1.

What is the InChIKey of 2-tert-butyl-5-cyclopropylthiophene;4-tert-butyl-2-(2,2-difluoropropyl)triazole;4-tert-butyl-2,5-dimethyl-1,3-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;2-tert-butyl-4-methyl-1,3-thiazole;5-tert-butylpyrimidine;cumene;2-cyclopropyl-5-propan-2-yl-3H-pyrrole;3,4-dimethyl-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;2,4-dimethyl-1-propan-2-ylpyrrole;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine;3-propan-2-ylfuran;1-propan-2-ylimidazole;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-3H-pyrrole?

The InChIKey is UMDZCFLBZDQBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16S.C10H15N.C9H15F2N3.C9H16N2.2C9H15NS.C9H15N.C9H12.C8H16N4.C8H12N2.2C8H14N2.C8H13NS.C7H11N.C7H10O.2C6H10N2/c1-11(2,3)10-7-6-9(12-10)8-4-5-8;1-7(2)9-5-6-10(11-9)8-3-4-8;1-8(2,3)7-5-12-14(13-7)6-9(4,10)11;1-4-5-11-7-9(6-10-11)8(2)3;1-6-8(9(3,4)5)10-7(2)11-6;1-6-8(9(3,4)5)11-7(2)10-6;1-7(2)10-6-8(3)5-9(10)4;1-8(2)9-6-4-3-5-7-9;1-7(2)12-6-9-8(10-12)5-11(3)4;1-8(2,3)7-4-9-6-10-5-7;1-6(2)10-5-7(3)8(4)9-10;1-6(2)10-8(4)5-7(3)9-10;1-6-5-10-7(9-6)8(2,3)4;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)8-4-3-7-5-8;1-5(2)6-3-4-7-8-6/h6-8H,4-5H2,1-3H3;5,7-8H,3-4,6H2,1-2H3;5H,6H2,1-4H3;6-8H,4-5H2,1-3H3;2*1-5H3;5-7H,1-4H3;3-8H,1-2H3;6-7H,5H2,1-4H3;4-6H,1-3H3;2*5-6H,1-4H3;5H,1-4H3;4-6H,3H2,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3,(H,7,8).

What are the key properties of 2-tert-butyl-5-cyclopropylthiophene;4-tert-butyl-2-(2,2-difluoropropyl)triazole;4-tert-butyl-2,5-dimethyl-1,3-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;2-tert-butyl-4-methyl-1,3-thiazole;5-tert-butylpyrimidine;cumene;2-cyclopropyl-5-propan-2-yl-3H-pyrrole;3,4-dimethyl-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;2,4-dimethyl-1-propan-2-ylpyrrole;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine;3-propan-2-ylfuran;1-propan-2-ylimidazole;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-3H-pyrrole?

2-tert-butyl-5-cyclopropylthiophene;4-tert-butyl-2-(2,2-difluoropropyl)triazole;4-tert-butyl-2,5-dimethyl-1,3-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;2-tert-butyl-4-methyl-1,3-thiazole;5-tert-butylpyrimidine;cumene;2-cyclopropyl-5-propan-2-yl-3H-pyrrole;3,4-dimethyl-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;2,4-dimethyl-1-propan-2-ylpyrrole;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine;3-propan-2-ylfuran;1-propan-2-ylimidazole;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-3H-pyrrole has a molecular weight of 2456.82 g/mol, XLogP of 39.97, 19 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-5-cyclopropylthiophene;4-tert-butyl-2-(2,2-difluoropropyl)triazole;4-tert-butyl-2,5-dimethyl-1,3-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;2-tert-butyl-4-methyl-1,3-thiazole;5-tert-butylpyrimidine;cumene;2-cyclopropyl-5-propan-2-yl-3H-pyrrole;3,4-dimethyl-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;2,4-dimethyl-1-propan-2-ylpyrrole;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine;3-propan-2-ylfuran;1-propan-2-ylimidazole;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-3H-pyrrole is sourced from PubChem (CID 161130887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).