1-(2,2-difluoroethyl)-4-propan-2-ylimidazole;1-ethyl-4-propan-2-yltriazole;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;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;(2-propan-2-yl-1,3-thiazol-5-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene;(4-propan-2-ylthiophen-2-yl)methanol;4-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazole

C137H213F5N24O5S13 — CID 158483440

About 1-(2,2-difluoroethyl)-4-propan-2-ylimidazole;1-ethyl-4-propan-2-yltriazole;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;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;(2-propan-2-yl-1,3-thiazol-5-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene;(4-propan-2-ylthiophen-2-yl)methanol;4-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazole

1-(2,2-difluoroethyl)-4-propan-2-ylimidazole;1-ethyl-4-propan-2-yltriazole;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;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;(2-propan-2-yl-1,3-thiazol-5-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene;(4-propan-2-ylthiophen-2-yl)methanol;4-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazole (PubChem CID 158483440) has the molecular formula C137H213F5N24O5S13 and a molecular weight of 2788.23 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-4-propan-2-ylimidazole;1-ethyl-4-propan-2-yltriazole;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;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;(2-propan-2-yl-1,3-thiazol-5-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene;(4-propan-2-ylthiophen-2-yl)methanol;4-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazole.

Molecular Properties

• Compound Name: 1-(2,2-difluoroethyl)-4-propan-2-ylimidazole;1-ethyl-4-propan-2-yltriazole;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;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;(2-propan-2-yl-1,3-thiazol-5-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene;(4-propan-2-ylthiophen-2-yl)methanol;4-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazole
• PubChem CID: 158483440
• Molecular Formula: C137H213F5N24O5S13
• Molecular Weight: 2788.23 g/mol
• Exact Mass: 2785.34
• IUPAC Name: 1-(2,2-difluoroethyl)-4-propan-2-ylimidazole;1-ethyl-4-propan-2-yltriazole;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;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;(2-propan-2-yl-1,3-thiazol-5-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene;(4-propan-2-ylthiophen-2-yl)methanol;4-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazole
• SMILES: CC(C)c1cccs1.CC(C)c1ccno1.CC(C)c1ccon1.CC(C)c1ccsc1.CC(C)c1cn(C)nn1.CC(C)c1cn(CC(F)(F)F)cn1.CC(C)c1cn(CC(F)F)cn1.CC(C)c1cnn(C)n1.CC(C)c1csc(CO)c1.CC(C)c1cscn1.CC(C)c1ncc(CO)s1.CC(C)c1nccs1.CC(C)c1nncs1.CCn1cc(C(C)C)nn1.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.Cc1nc(C(C)C)cs1
• InChI: InChI=1S/C8H11F3N2.C8H12F2N2.C8H12OS.2C8H12S.C7H13N3.C7H11NOS.C7H11NO.C7H11NS2.2C7H11NS.2C7H10S.2C6H11N3.2C6H9NO.2C6H9NS.C5H8N2S/c1-6(2)7-3-13(5-12-7)4-8(9,10)11;1-6(2)7-3-12(5-11-7)4-8(9)10;1-6(2)7-3-8(4-9)10-5-7;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)7-8-3-6(4-9)10-7;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;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;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6;1-4(2)5-7-6-3-8-5/h3,5-6H,4H2,1-2H3;3,5-6,8H,4H2,1-2H3;3,5-6,9H,4H2,1-2H3;2*4-6H,1-3H3;5-6H,4H2,1-3H3;3,5,9H,4H2,1-2H3;4-5H,1-3H3;4-5H,1-3H3;2*4-5H,1-3H3;2*3-6H,1-2H3;2*4-5H,1-3H3;4*3-5H,1-2H3;3-4H,1-2H3
• InChIKey: HHUMHXOSESMDDH-UHFFFAOYSA-N
• XLogP: 44.40
• TPSA: 349.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 42
• Rotatable Bonds: 27
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2788.23
LogP ≤ 5	44.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-4-propan-2-ylimidazole;1-ethyl-4-propan-2-yltriazole;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;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;(2-propan-2-yl-1,3-thiazol-5-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene;(4-propan-2-ylthiophen-2-yl)methanol;4-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazole?

The IUPAC name of 1-(2,2-difluoroethyl)-4-propan-2-ylimidazole;1-ethyl-4-propan-2-yltriazole;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;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;(2-propan-2-yl-1,3-thiazol-5-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene;(4-propan-2-ylthiophen-2-yl)methanol;4-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazole (CID 158483440) is 1-(2,2-difluoroethyl)-4-propan-2-ylimidazole;1-ethyl-4-propan-2-yltriazole;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;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;(2-propan-2-yl-1,3-thiazol-5-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene;(4-propan-2-ylthiophen-2-yl)methanol;4-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazole.

What is the SMILES notation for 1-(2,2-difluoroethyl)-4-propan-2-ylimidazole;1-ethyl-4-propan-2-yltriazole;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;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;(2-propan-2-yl-1,3-thiazol-5-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene;(4-propan-2-ylthiophen-2-yl)methanol;4-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazole?

The canonical SMILES for 1-(2,2-difluoroethyl)-4-propan-2-ylimidazole;1-ethyl-4-propan-2-yltriazole;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;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;(2-propan-2-yl-1,3-thiazol-5-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene;(4-propan-2-ylthiophen-2-yl)methanol;4-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazole is CC(C)c1cccs1.CC(C)c1ccno1.CC(C)c1ccon1.CC(C)c1ccsc1.CC(C)c1cn(C)nn1.CC(C)c1cn(CC(F)(F)F)cn1.CC(C)c1cn(CC(F)F)cn1.CC(C)c1cnn(C)n1.CC(C)c1csc(CO)c1.CC(C)c1cscn1.CC(C)c1ncc(CO)s1.CC(C)c1nccs1.CC(C)c1nncs1.CCn1cc(C(C)C)nn1.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.Cc1nc(C(C)C)cs1.

What is the InChIKey of 1-(2,2-difluoroethyl)-4-propan-2-ylimidazole;1-ethyl-4-propan-2-yltriazole;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;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;(2-propan-2-yl-1,3-thiazol-5-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene;(4-propan-2-ylthiophen-2-yl)methanol;4-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazole?

The InChIKey is HHUMHXOSESMDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2.C8H12F2N2.C8H12OS.2C8H12S.C7H13N3.C7H11NOS.C7H11NO.C7H11NS2.2C7H11NS.2C7H10S.2C6H11N3.2C6H9NO.2C6H9NS.C5H8N2S/c1-6(2)7-3-13(5-12-7)4-8(9,10)11;1-6(2)7-3-12(5-11-7)4-8(9)10;1-6(2)7-3-8(4-9)10-5-7;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)7-8-3-6(4-9)10-7;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;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;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6;1-4(2)5-7-6-3-8-5/h3,5-6H,4H2,1-2H3;3,5-6,8H,4H2,1-2H3;3,5-6,9H,4H2,1-2H3;2*4-6H,1-3H3;5-6H,4H2,1-3H3;3,5,9H,4H2,1-2H3;4-5H,1-3H3;4-5H,1-3H3;2*4-5H,1-3H3;2*3-6H,1-2H3;2*4-5H,1-3H3;4*3-5H,1-2H3;3-4H,1-2H3.

What are the key properties of 1-(2,2-difluoroethyl)-4-propan-2-ylimidazole;1-ethyl-4-propan-2-yltriazole;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;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;(2-propan-2-yl-1,3-thiazol-5-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene;(4-propan-2-ylthiophen-2-yl)methanol;4-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazole?

1-(2,2-difluoroethyl)-4-propan-2-ylimidazole;1-ethyl-4-propan-2-yltriazole;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;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;(2-propan-2-yl-1,3-thiazol-5-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene;(4-propan-2-ylthiophen-2-yl)methanol;4-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazole has a molecular weight of 2788.23 g/mol, XLogP of 44.40, 27 rotatable bonds, 2 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,2-difluoroethyl)-4-propan-2-ylimidazole;1-ethyl-4-propan-2-yltriazole;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;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;(2-propan-2-yl-1,3-thiazol-5-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene;(4-propan-2-ylthiophen-2-yl)methanol;4-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazole is sourced from PubChem (CID 158483440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).