2-(1,1-difluoroethyl)-5-[4,5-di(propan-2-yl)thiophen-2-yl]-1,3,4-oxadiazole;2,3-di(propan-2-yl)thiophene;3-[4,5-di(propan-2-yl)thiophen-2-yl]-5-methyl-1,2,4-oxadiazole;5-[4,5-di(propan-2-yl)thiophen-2-yl]-N-methyl-1,3-oxazol-2-amine;2-[4,5-di(propan-2-yl)thiophen-2-yl]-5-methyl-1,3,4-thiadiazole;1-[4,5-di(propan-2-yl)thiophen-2-yl]-4-methyltriazole

C77H109F2N11O3S7 — CID 157320796

About 2-(1,1-difluoroethyl)-5-[4,5-di(propan-2-yl)thiophen-2-yl]-1,3,4-oxadiazole;2,3-di(propan-2-yl)thiophene;3-[4,5-di(propan-2-yl)thiophen-2-yl]-5-methyl-1,2,4-oxadiazole;5-[4,5-di(propan-2-yl)thiophen-2-yl]-N-methyl-1,3-oxazol-2-amine;2-[4,5-di(propan-2-yl)thiophen-2-yl]-5-methyl-1,3,4-thiadiazole;1-[4,5-di(propan-2-yl)thiophen-2-yl]-4-methyltriazole

2-(1,1-difluoroethyl)-5-[4,5-di(propan-2-yl)thiophen-2-yl]-1,3,4-oxadiazole;2,3-di(propan-2-yl)thiophene;3-[4,5-di(propan-2-yl)thiophen-2-yl]-5-methyl-1,2,4-oxadiazole;5-[4,5-di(propan-2-yl)thiophen-2-yl]-N-methyl-1,3-oxazol-2-amine;2-[4,5-di(propan-2-yl)thiophen-2-yl]-5-methyl-1,3,4-thiadiazole;1-[4,5-di(propan-2-yl)thiophen-2-yl]-4-methyltriazole (PubChem CID 157320796) has the molecular formula C77H109F2N11O3S7 and a molecular weight of 1499.26 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-5-[4,5-di(propan-2-yl)thiophen-2-yl]-1,3,4-oxadiazole;2,3-di(propan-2-yl)thiophene;3-[4,5-di(propan-2-yl)thiophen-2-yl]-5-methyl-1,2,4-oxadiazole;5-[4,5-di(propan-2-yl)thiophen-2-yl]-N-methyl-1,3-oxazol-2-amine;2-[4,5-di(propan-2-yl)thiophen-2-yl]-5-methyl-1,3,4-thiadiazole;1-[4,5-di(propan-2-yl)thiophen-2-yl]-4-methyltriazole.

Molecular Properties

• Compound Name: 2-(1,1-difluoroethyl)-5-[4,5-di(propan-2-yl)thiophen-2-yl]-1,3,4-oxadiazole;2,3-di(propan-2-yl)thiophene;3-[4,5-di(propan-2-yl)thiophen-2-yl]-5-methyl-1,2,4-oxadiazole;5-[4,5-di(propan-2-yl)thiophen-2-yl]-N-methyl-1,3-oxazol-2-amine;2-[4,5-di(propan-2-yl)thiophen-2-yl]-5-methyl-1,3,4-thiadiazole;1-[4,5-di(propan-2-yl)thiophen-2-yl]-4-methyltriazole
• PubChem CID: 157320796
• Molecular Formula: C77H109F2N11O3S7
• Molecular Weight: 1499.26 g/mol
• Exact Mass: 1497.67
• IUPAC Name: 2-(1,1-difluoroethyl)-5-[4,5-di(propan-2-yl)thiophen-2-yl]-1,3,4-oxadiazole;2,3-di(propan-2-yl)thiophene;3-[4,5-di(propan-2-yl)thiophen-2-yl]-5-methyl-1,2,4-oxadiazole;5-[4,5-di(propan-2-yl)thiophen-2-yl]-N-methyl-1,3-oxazol-2-amine;2-[4,5-di(propan-2-yl)thiophen-2-yl]-5-methyl-1,3,4-thiadiazole;1-[4,5-di(propan-2-yl)thiophen-2-yl]-4-methyltriazole
• SMILES: CC(C)c1cc(-c2nnc(C(C)(F)F)o2)sc1C(C)C.CC(C)c1ccsc1C(C)C.CNc1ncc(-c2cc(C(C)C)c(C(C)C)s2)o1.Cc1cn(-c2cc(C(C)C)c(C(C)C)s2)nn1.Cc1nc(-c2cc(C(C)C)c(C(C)C)s2)no1.Cc1nnc(-c2cc(C(C)C)c(C(C)C)s2)s1
• InChI: InChI=1S/C14H18F2N2OS.C14H20N2OS.C13H19N3S.C13H18N2OS.C13H18N2S2.C10H16S/c1-7(2)9-6-10(20-11(9)8(3)4)12-17-18-13(19-12)14(5,15)16;1-8(2)10-6-12(18-13(10)9(3)4)11-7-16-14(15-5)17-11;1-8(2)11-6-12(17-13(11)9(3)4)16-7-10(5)14-15-16;1-7(2)10-6-11(17-12(10)8(3)4)13-14-9(5)16-15-13;1-7(2)10-6-11(17-12(10)8(3)4)13-15-14-9(5)16-13;1-7(2)9-5-6-11-10(9)8(3)4/h6-8H,1-5H3;6-9H,1-5H3,(H,15,16);6-9H,1-5H3;2*6-8H,1-5H3;5-8H,1-4H3
• InChIKey: BEDHCOWJRIYYRJ-UHFFFAOYSA-N
• XLogP: 26.90
• TPSA: 172.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 19
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1499.26
LogP ≤ 5	26.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-5-[4,5-di(propan-2-yl)thiophen-2-yl]-1,3,4-oxadiazole;2,3-di(propan-2-yl)thiophene;3-[4,5-di(propan-2-yl)thiophen-2-yl]-5-methyl-1,2,4-oxadiazole;5-[4,5-di(propan-2-yl)thiophen-2-yl]-N-methyl-1,3-oxazol-2-amine;2-[4,5-di(propan-2-yl)thiophen-2-yl]-5-methyl-1,3,4-thiadiazole;1-[4,5-di(propan-2-yl)thiophen-2-yl]-4-methyltriazole?

The IUPAC name of 2-(1,1-difluoroethyl)-5-[4,5-di(propan-2-yl)thiophen-2-yl]-1,3,4-oxadiazole;2,3-di(propan-2-yl)thiophene;3-[4,5-di(propan-2-yl)thiophen-2-yl]-5-methyl-1,2,4-oxadiazole;5-[4,5-di(propan-2-yl)thiophen-2-yl]-N-methyl-1,3-oxazol-2-amine;2-[4,5-di(propan-2-yl)thiophen-2-yl]-5-methyl-1,3,4-thiadiazole;1-[4,5-di(propan-2-yl)thiophen-2-yl]-4-methyltriazole (CID 157320796) is 2-(1,1-difluoroethyl)-5-[4,5-di(propan-2-yl)thiophen-2-yl]-1,3,4-oxadiazole;2,3-di(propan-2-yl)thiophene;3-[4,5-di(propan-2-yl)thiophen-2-yl]-5-methyl-1,2,4-oxadiazole;5-[4,5-di(propan-2-yl)thiophen-2-yl]-N-methyl-1,3-oxazol-2-amine;2-[4,5-di(propan-2-yl)thiophen-2-yl]-5-methyl-1,3,4-thiadiazole;1-[4,5-di(propan-2-yl)thiophen-2-yl]-4-methyltriazole.

What is the SMILES notation for 2-(1,1-difluoroethyl)-5-[4,5-di(propan-2-yl)thiophen-2-yl]-1,3,4-oxadiazole;2,3-di(propan-2-yl)thiophene;3-[4,5-di(propan-2-yl)thiophen-2-yl]-5-methyl-1,2,4-oxadiazole;5-[4,5-di(propan-2-yl)thiophen-2-yl]-N-methyl-1,3-oxazol-2-amine;2-[4,5-di(propan-2-yl)thiophen-2-yl]-5-methyl-1,3,4-thiadiazole;1-[4,5-di(propan-2-yl)thiophen-2-yl]-4-methyltriazole?

The canonical SMILES for 2-(1,1-difluoroethyl)-5-[4,5-di(propan-2-yl)thiophen-2-yl]-1,3,4-oxadiazole;2,3-di(propan-2-yl)thiophene;3-[4,5-di(propan-2-yl)thiophen-2-yl]-5-methyl-1,2,4-oxadiazole;5-[4,5-di(propan-2-yl)thiophen-2-yl]-N-methyl-1,3-oxazol-2-amine;2-[4,5-di(propan-2-yl)thiophen-2-yl]-5-methyl-1,3,4-thiadiazole;1-[4,5-di(propan-2-yl)thiophen-2-yl]-4-methyltriazole is CC(C)c1cc(-c2nnc(C(C)(F)F)o2)sc1C(C)C.CC(C)c1ccsc1C(C)C.CNc1ncc(-c2cc(C(C)C)c(C(C)C)s2)o1.Cc1cn(-c2cc(C(C)C)c(C(C)C)s2)nn1.Cc1nc(-c2cc(C(C)C)c(C(C)C)s2)no1.Cc1nnc(-c2cc(C(C)C)c(C(C)C)s2)s1.

What is the InChIKey of 2-(1,1-difluoroethyl)-5-[4,5-di(propan-2-yl)thiophen-2-yl]-1,3,4-oxadiazole;2,3-di(propan-2-yl)thiophene;3-[4,5-di(propan-2-yl)thiophen-2-yl]-5-methyl-1,2,4-oxadiazole;5-[4,5-di(propan-2-yl)thiophen-2-yl]-N-methyl-1,3-oxazol-2-amine;2-[4,5-di(propan-2-yl)thiophen-2-yl]-5-methyl-1,3,4-thiadiazole;1-[4,5-di(propan-2-yl)thiophen-2-yl]-4-methyltriazole?

The InChIKey is BEDHCOWJRIYYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2OS.C14H20N2OS.C13H19N3S.C13H18N2OS.C13H18N2S2.C10H16S/c1-7(2)9-6-10(20-11(9)8(3)4)12-17-18-13(19-12)14(5,15)16;1-8(2)10-6-12(18-13(10)9(3)4)11-7-16-14(15-5)17-11;1-8(2)11-6-12(17-13(11)9(3)4)16-7-10(5)14-15-16;1-7(2)10-6-11(17-12(10)8(3)4)13-14-9(5)16-15-13;1-7(2)10-6-11(17-12(10)8(3)4)13-15-14-9(5)16-13;1-7(2)9-5-6-11-10(9)8(3)4/h6-8H,1-5H3;6-9H,1-5H3,(H,15,16);6-9H,1-5H3;2*6-8H,1-5H3;5-8H,1-4H3.

What are the key properties of 2-(1,1-difluoroethyl)-5-[4,5-di(propan-2-yl)thiophen-2-yl]-1,3,4-oxadiazole;2,3-di(propan-2-yl)thiophene;3-[4,5-di(propan-2-yl)thiophen-2-yl]-5-methyl-1,2,4-oxadiazole;5-[4,5-di(propan-2-yl)thiophen-2-yl]-N-methyl-1,3-oxazol-2-amine;2-[4,5-di(propan-2-yl)thiophen-2-yl]-5-methyl-1,3,4-thiadiazole;1-[4,5-di(propan-2-yl)thiophen-2-yl]-4-methyltriazole?

2-(1,1-difluoroethyl)-5-[4,5-di(propan-2-yl)thiophen-2-yl]-1,3,4-oxadiazole;2,3-di(propan-2-yl)thiophene;3-[4,5-di(propan-2-yl)thiophen-2-yl]-5-methyl-1,2,4-oxadiazole;5-[4,5-di(propan-2-yl)thiophen-2-yl]-N-methyl-1,3-oxazol-2-amine;2-[4,5-di(propan-2-yl)thiophen-2-yl]-5-methyl-1,3,4-thiadiazole;1-[4,5-di(propan-2-yl)thiophen-2-yl]-4-methyltriazole has a molecular weight of 1499.26 g/mol, XLogP of 26.90, 19 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,1-difluoroethyl)-5-[4,5-di(propan-2-yl)thiophen-2-yl]-1,3,4-oxadiazole;2,3-di(propan-2-yl)thiophene;3-[4,5-di(propan-2-yl)thiophen-2-yl]-5-methyl-1,2,4-oxadiazole;5-[4,5-di(propan-2-yl)thiophen-2-yl]-N-methyl-1,3-oxazol-2-amine;2-[4,5-di(propan-2-yl)thiophen-2-yl]-5-methyl-1,3,4-thiadiazole;1-[4,5-di(propan-2-yl)thiophen-2-yl]-4-methyltriazole is sourced from PubChem (CID 157320796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).