2-(1,1-difluoroethyl)-5-[4,5-di(propan-2-yl)thiophen-2-yl]-1,3,4-oxadiazole;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

C67H93F2N11O3S6 — CID 157058236

IUPAC2-(1,1-difluoroethyl)-5-[4,5-di(propan-2-yl)thiophen-2-yl]-1,3,4-oxadiazole;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
SMILESCC(C)c1cc(-c2nnc(C(C)(F)F)o2)sc1C(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
InChIInChI=1S/C14H18F2N2OS.C14H20N2OS.C13H19N3S.C13H18N2OS.C13H18N2S2/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/h6-8H,1-5H3;6-9H,1-5H3,(H,15,16);6-9H,1-5H3;2*6-8H,1-5H3
InChIKeyAAZVUXREFRVZGM-UHFFFAOYSA-N
MW1330.95 g/mol
LogP22.91
Rot. Bonds17

About 2-(1,1-difluoroethyl)-5-[4,5-di(propan-2-yl)thiophen-2-yl]-1,3,4-oxadiazole;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;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 157058236) has the molecular formula C67H93F2N11O3S6 and a molecular weight of 1330.95 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-5-[4,5-di(propan-2-yl)thiophen-2-yl]-1,3,4-oxadiazole;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 Name2-(1,1-difluoroethyl)-5-[4,5-di(propan-2-yl)thiophen-2-yl]-1,3,4-oxadiazole;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 CID157058236
Molecular FormulaC67H93F2N11O3S6
Molecular Weight1330.95 g/mol
Exact Mass1329.58
IUPAC Name2-(1,1-difluoroethyl)-5-[4,5-di(propan-2-yl)thiophen-2-yl]-1,3,4-oxadiazole;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
SMILESCC(C)c1cc(-c2nnc(C(C)(F)F)o2)sc1C(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
InChIInChI=1S/C14H18F2N2OS.C14H20N2OS.C13H19N3S.C13H18N2OS.C13H18N2S2/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/h6-8H,1-5H3;6-9H,1-5H3,(H,15,16);6-9H,1-5H3;2*6-8H,1-5H3
InChIKeyAAZVUXREFRVZGM-UHFFFAOYSA-N
XLogP22.91
TPSA172.39 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds17
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001330.95
LogP ≤ 522.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Analyze 2-(1,1-difluoroethyl)-5-[4,5-di(propan-2-yl)thiophen-2-yl]-1,3,4-oxadiazole;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 with MolForge

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Related Compounds

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
2-(1,1-difluoroethyl)-5-[4,5-di(propan-2-yl)thiophen-2-yl]-1,3,4-oxadiazole;3-[4,5-di(propan-2-yl)thiophen-2-yl]-5-methoxy-1,2-oxazole;5-[4,5-di(propan-2-yl)thiophen-2-yl]-3-methoxy-1,2-oxazole;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;N-(1-methylcyclopropyl)-4,5-di(propan-2-yl)thiophene-2-carboxamide
CID 161792066
2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-oxazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene
CID 157201203
2-methyl-4-propan-2-ylfuran;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylfuran;1-methyl-4-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-4-propan-2-yl-1H-pyrrole;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-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;4-methyl-2-propan-2-ylthiophene
CID 157432180
1,2-dimethyl-5-propan-2-ylimidazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxadiazole;5-propan-2-yloxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
CID 160026538

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;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;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 157058236) is 2-(1,1-difluoroethyl)-5-[4,5-di(propan-2-yl)thiophen-2-yl]-1,3,4-oxadiazole;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;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;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.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;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 AAZVUXREFRVZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2OS.C14H20N2OS.C13H19N3S.C13H18N2OS.C13H18N2S2/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/h6-8H,1-5H3;6-9H,1-5H3,(H,15,16);6-9H,1-5H3;2*6-8H,1-5H3.
What are the key properties of 2-(1,1-difluoroethyl)-5-[4,5-di(propan-2-yl)thiophen-2-yl]-1,3,4-oxadiazole;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;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 1330.95 g/mol, XLogP of 22.91, 17 rotatable bonds, 1 hydrogen bond donors, and 20 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;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 157058236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).