1-ethyl-4-propan-2-ylimidazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-ethyl-4-propan-2-ylthiophene;1-ethyl-4-propan-2-yltriazole;1-(2-fluoropropyl)-4-propan-2-ylimidazole;3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;2-methyl-4-propan-2-yltriazole;2-methylsulfanyl-4-propan-2-yl-1,3-thiazole;4-methyl-1,3-thiazole;2-propan-2-ylfuran;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;3-propan-2-ylthiophene

C141H223FN22O2S13 — CID 159614703

About 1-ethyl-4-propan-2-ylimidazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-ethyl-4-propan-2-ylthiophene;1-ethyl-4-propan-2-yltriazole;1-(2-fluoropropyl)-4-propan-2-ylimidazole;3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;2-methyl-4-propan-2-yltriazole;2-methylsulfanyl-4-propan-2-yl-1,3-thiazole;4-methyl-1,3-thiazole;2-propan-2-ylfuran;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;3-propan-2-ylthiophene

1-ethyl-4-propan-2-ylimidazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-ethyl-4-propan-2-ylthiophene;1-ethyl-4-propan-2-yltriazole;1-(2-fluoropropyl)-4-propan-2-ylimidazole;3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;2-methyl-4-propan-2-yltriazole;2-methylsulfanyl-4-propan-2-yl-1,3-thiazole;4-methyl-1,3-thiazole;2-propan-2-ylfuran;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;3-propan-2-ylthiophene (PubChem CID 159614703) has the molecular formula C141H223FN22O2S13 and a molecular weight of 2694.36 g/mol. Its IUPAC name is 1-ethyl-4-propan-2-ylimidazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-ethyl-4-propan-2-ylthiophene;1-ethyl-4-propan-2-yltriazole;1-(2-fluoropropyl)-4-propan-2-ylimidazole;3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;2-methyl-4-propan-2-yltriazole;2-methylsulfanyl-4-propan-2-yl-1,3-thiazole;4-methyl-1,3-thiazole;2-propan-2-ylfuran;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;3-propan-2-ylthiophene.

Molecular Properties

• Compound Name: 1-ethyl-4-propan-2-ylimidazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-ethyl-4-propan-2-ylthiophene;1-ethyl-4-propan-2-yltriazole;1-(2-fluoropropyl)-4-propan-2-ylimidazole;3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;2-methyl-4-propan-2-yltriazole;2-methylsulfanyl-4-propan-2-yl-1,3-thiazole;4-methyl-1,3-thiazole;2-propan-2-ylfuran;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;3-propan-2-ylthiophene
• PubChem CID: 159614703
• Molecular Formula: C141H223FN22O2S13
• Molecular Weight: 2694.36 g/mol
• Exact Mass: 2691.44
• IUPAC Name: 1-ethyl-4-propan-2-ylimidazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-ethyl-4-propan-2-ylthiophene;1-ethyl-4-propan-2-yltriazole;1-(2-fluoropropyl)-4-propan-2-ylimidazole;3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;2-methyl-4-propan-2-yltriazole;2-methylsulfanyl-4-propan-2-yl-1,3-thiazole;4-methyl-1,3-thiazole;2-propan-2-ylfuran;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;3-propan-2-ylthiophene
• SMILES: CC(C)C1=NCC=C1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccsc1.CC(C)c1cn(C)nn1.CC(C)c1cnn(C)n1.CC(C)c1nccs1.CC(C)c1nccs1.CC(F)Cn1cnc(C(C)C)c1.CCc1cc(C(C)C)cs1.CCc1cnc(C(C)C)s1.CCn1cc(C(C)C)nn1.CCn1cnc(C(C)C)c1.CSc1nc(C(C)C)cs1.Cc1cc(C(C)C)cs1.Cc1cc(C(C)C)on1.Cc1ccc(C(C)C)s1.Cc1cnc(C(C)C)s1.Cc1cscn1.Cc1nc(C(C)C)cs1
• InChI: InChI=1S/C9H15FN2.C9H14S.C8H14N2.C8H13NS.2C8H12S.C7H13N3.C7H11NO.C7H11NS2.2C7H11NS.C7H11N.C7H10O.2C7H10S.2C6H11N3.2C6H9NS.C4H5NS/c1-7(2)9-5-12(6-11-9)4-8(3)10;1-4-9-5-8(6-10-9)7(2)3;1-4-10-5-8(7(2)3)9-6-10;1-4-7-5-9-8(10-7)6(2)3;1-6(2)8-4-7(3)9-5-8;1-6(2)8-5-4-7(3)9-8;1-4-10-5-7(6(2)3)8-9-10;1-5(2)7-4-6(3)8-9-7;1-5(2)6-4-10-7(8-6)9-3;1-5(2)7-4-9-6(3)8-7;1-5(2)7-8-4-6(3)9-7;2*1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-4-9(3)8-7-6;1-5(2)6-4-7-9(3)8-6;2*1-5(2)6-7-3-4-8-6;1-4-2-6-3-5-4/h5-8H,4H2,1-3H3;2*5-7H,4H2,1-3H3;5-6H,4H2,1-3H3;2*4-6H,1-3H3;5-6H,4H2,1-3H3;4-5H,1-3H3;4-5H,1-3H3;2*4-5H,1-3H3;3-4,6H,5H2,1-2H3;3*3-6H,1-2H3;2*4-5H,1-3H3;2*3-5H,1-2H3;2-3H,1H3
• InChIKey: MNDHGTQCFQEMHB-UHFFFAOYSA-N
• XLogP: 46.34
• TPSA: 269.53 Ų
• H-Bond Acceptors: 37
• Rotatable Bonds: 26
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2694.36
LogP ≤ 5	46.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-propan-2-ylimidazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-ethyl-4-propan-2-ylthiophene;1-ethyl-4-propan-2-yltriazole;1-(2-fluoropropyl)-4-propan-2-ylimidazole;3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;2-methyl-4-propan-2-yltriazole;2-methylsulfanyl-4-propan-2-yl-1,3-thiazole;4-methyl-1,3-thiazole;2-propan-2-ylfuran;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;3-propan-2-ylthiophene?

The IUPAC name of 1-ethyl-4-propan-2-ylimidazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-ethyl-4-propan-2-ylthiophene;1-ethyl-4-propan-2-yltriazole;1-(2-fluoropropyl)-4-propan-2-ylimidazole;3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;2-methyl-4-propan-2-yltriazole;2-methylsulfanyl-4-propan-2-yl-1,3-thiazole;4-methyl-1,3-thiazole;2-propan-2-ylfuran;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;3-propan-2-ylthiophene (CID 159614703) is 1-ethyl-4-propan-2-ylimidazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-ethyl-4-propan-2-ylthiophene;1-ethyl-4-propan-2-yltriazole;1-(2-fluoropropyl)-4-propan-2-ylimidazole;3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;2-methyl-4-propan-2-yltriazole;2-methylsulfanyl-4-propan-2-yl-1,3-thiazole;4-methyl-1,3-thiazole;2-propan-2-ylfuran;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;3-propan-2-ylthiophene.

What is the SMILES notation for 1-ethyl-4-propan-2-ylimidazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-ethyl-4-propan-2-ylthiophene;1-ethyl-4-propan-2-yltriazole;1-(2-fluoropropyl)-4-propan-2-ylimidazole;3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;2-methyl-4-propan-2-yltriazole;2-methylsulfanyl-4-propan-2-yl-1,3-thiazole;4-methyl-1,3-thiazole;2-propan-2-ylfuran;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;3-propan-2-ylthiophene?

The canonical SMILES for 1-ethyl-4-propan-2-ylimidazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-ethyl-4-propan-2-ylthiophene;1-ethyl-4-propan-2-yltriazole;1-(2-fluoropropyl)-4-propan-2-ylimidazole;3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;2-methyl-4-propan-2-yltriazole;2-methylsulfanyl-4-propan-2-yl-1,3-thiazole;4-methyl-1,3-thiazole;2-propan-2-ylfuran;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;3-propan-2-ylthiophene is CC(C)C1=NCC=C1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccsc1.CC(C)c1cn(C)nn1.CC(C)c1cnn(C)n1.CC(C)c1nccs1.CC(C)c1nccs1.CC(F)Cn1cnc(C(C)C)c1.CCc1cc(C(C)C)cs1.CCc1cnc(C(C)C)s1.CCn1cc(C(C)C)nn1.CCn1cnc(C(C)C)c1.CSc1nc(C(C)C)cs1.Cc1cc(C(C)C)cs1.Cc1cc(C(C)C)on1.Cc1ccc(C(C)C)s1.Cc1cnc(C(C)C)s1.Cc1cscn1.Cc1nc(C(C)C)cs1.

What is the InChIKey of 1-ethyl-4-propan-2-ylimidazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-ethyl-4-propan-2-ylthiophene;1-ethyl-4-propan-2-yltriazole;1-(2-fluoropropyl)-4-propan-2-ylimidazole;3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;2-methyl-4-propan-2-yltriazole;2-methylsulfanyl-4-propan-2-yl-1,3-thiazole;4-methyl-1,3-thiazole;2-propan-2-ylfuran;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;3-propan-2-ylthiophene?

The InChIKey is MNDHGTQCFQEMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2.C9H14S.C8H14N2.C8H13NS.2C8H12S.C7H13N3.C7H11NO.C7H11NS2.2C7H11NS.C7H11N.C7H10O.2C7H10S.2C6H11N3.2C6H9NS.C4H5NS/c1-7(2)9-5-12(6-11-9)4-8(3)10;1-4-9-5-8(6-10-9)7(2)3;1-4-10-5-8(7(2)3)9-6-10;1-4-7-5-9-8(10-7)6(2)3;1-6(2)8-4-7(3)9-5-8;1-6(2)8-5-4-7(3)9-8;1-4-10-5-7(6(2)3)8-9-10;1-5(2)7-4-6(3)8-9-7;1-5(2)6-4-10-7(8-6)9-3;1-5(2)7-4-9-6(3)8-7;1-5(2)7-8-4-6(3)9-7;2*1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-4-9(3)8-7-6;1-5(2)6-4-7-9(3)8-6;2*1-5(2)6-7-3-4-8-6;1-4-2-6-3-5-4/h5-8H,4H2,1-3H3;2*5-7H,4H2,1-3H3;5-6H,4H2,1-3H3;2*4-6H,1-3H3;5-6H,4H2,1-3H3;4-5H,1-3H3;4-5H,1-3H3;2*4-5H,1-3H3;3-4,6H,5H2,1-2H3;3*3-6H,1-2H3;2*4-5H,1-3H3;2*3-5H,1-2H3;2-3H,1H3.

What are the key properties of 1-ethyl-4-propan-2-ylimidazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-ethyl-4-propan-2-ylthiophene;1-ethyl-4-propan-2-yltriazole;1-(2-fluoropropyl)-4-propan-2-ylimidazole;3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;2-methyl-4-propan-2-yltriazole;2-methylsulfanyl-4-propan-2-yl-1,3-thiazole;4-methyl-1,3-thiazole;2-propan-2-ylfuran;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;3-propan-2-ylthiophene?

1-ethyl-4-propan-2-ylimidazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-ethyl-4-propan-2-ylthiophene;1-ethyl-4-propan-2-yltriazole;1-(2-fluoropropyl)-4-propan-2-ylimidazole;3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;2-methyl-4-propan-2-yltriazole;2-methylsulfanyl-4-propan-2-yl-1,3-thiazole;4-methyl-1,3-thiazole;2-propan-2-ylfuran;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;3-propan-2-ylthiophene has a molecular weight of 2694.36 g/mol, XLogP of 46.34, 26 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-4-propan-2-ylimidazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-ethyl-4-propan-2-ylthiophene;1-ethyl-4-propan-2-yltriazole;1-(2-fluoropropyl)-4-propan-2-ylimidazole;3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;2-methyl-4-propan-2-yltriazole;2-methylsulfanyl-4-propan-2-yl-1,3-thiazole;4-methyl-1,3-thiazole;2-propan-2-ylfuran;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;3-propan-2-ylthiophene is sourced from PubChem (CID 159614703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).