3-cyclopropyl-2-methylthiophene;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;3,4-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;2,3-dimethylthiophene;3-isocyano-2-methylthiophene;(E)-N-methoxy-1-(2-methylthiophen-3-yl)methanimine;N-methyl-1-(2-methylthiophen-3-yl)methanimine;2-methyl-3-(trifluoromethyl)thiophene;2,3,4-trimethylthiophene;hydrofluoride

C67H85F4N7O3S9 — CID 172983729

About 3-cyclopropyl-2-methylthiophene;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;3,4-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;2,3-dimethylthiophene;3-isocyano-2-methylthiophene;(E)-N-methoxy-1-(2-methylthiophen-3-yl)methanimine;N-methyl-1-(2-methylthiophen-3-yl)methanimine;2-methyl-3-(trifluoromethyl)thiophene;2,3,4-trimethylthiophene;hydrofluoride

3-cyclopropyl-2-methylthiophene;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;3,4-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;2,3-dimethylthiophene;3-isocyano-2-methylthiophene;(E)-N-methoxy-1-(2-methylthiophen-3-yl)methanimine;N-methyl-1-(2-methylthiophen-3-yl)methanimine;2-methyl-3-(trifluoromethyl)thiophene;2,3,4-trimethylthiophene;hydrofluoride (PubChem CID 172983729) has the molecular formula C67H85F4N7O3S9 and a molecular weight of 1401.06 g/mol. Its IUPAC name is 3-cyclopropyl-2-methylthiophene;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;3,4-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;2,3-dimethylthiophene;3-isocyano-2-methylthiophene;(E)-N-methoxy-1-(2-methylthiophen-3-yl)methanimine;N-methyl-1-(2-methylthiophen-3-yl)methanimine;2-methyl-3-(trifluoromethyl)thiophene;2,3,4-trimethylthiophene;hydrofluoride.

Molecular Properties

• Compound Name: 3-cyclopropyl-2-methylthiophene;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;3,4-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;2,3-dimethylthiophene;3-isocyano-2-methylthiophene;(E)-N-methoxy-1-(2-methylthiophen-3-yl)methanimine;N-methyl-1-(2-methylthiophen-3-yl)methanimine;2-methyl-3-(trifluoromethyl)thiophene;2,3,4-trimethylthiophene;hydrofluoride
• PubChem CID: 172983729
• Molecular Formula: C67H85F4N7O3S9
• Molecular Weight: 1401.06 g/mol
• Exact Mass: 1399.41
• IUPAC Name: 3-cyclopropyl-2-methylthiophene;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;3,4-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;2,3-dimethylthiophene;3-isocyano-2-methylthiophene;(E)-N-methoxy-1-(2-methylthiophen-3-yl)methanimine;N-methyl-1-(2-methylthiophen-3-yl)methanimine;2-methyl-3-(trifluoromethyl)thiophene;2,3,4-trimethylthiophene;hydrofluoride
• SMILES: C/N=C/c1ccsc1C.CO/N=C/c1ccsc1C.Cc1ccsc1C.Cc1cnoc1C.Cc1cnsc1C.Cc1conc1C.Cc1csc(C)c1C.Cc1csnc1C.Cc1sccc1C(F)(F)F.Cc1sccc1C1CC1.F.[C-]#[N+]c1ccsc1C
• InChI: InChI=1S/C8H10S.C7H9NOS.C7H9NS.C7H10S.C6H5F3S.C6H5NS.C6H8S.2C5H7NO.2C5H7NS.FH/c1-6-8(4-5-9-6)7-2-3-7;1-6-7(3-4-10-6)5-8-9-2;1-6-7(5-8-2)3-4-9-6;1-5-4-8-7(3)6(5)2;1-4-5(2-3-10-4)6(7,8)9;1-5-6(7-2)3-4-8-5;1-5-3-4-7-6(5)2;1-4-3-7-6-5(4)2;1-4-3-6-7-5(4)2;1-4-3-7-6-5(4)2;1-4-3-6-7-5(4)2;/h4-5,7H,2-3H2,1H3;3-5H,1-2H3;3-5H,1-2H3;4H,1-3H3;2-3H,1H3;3-4H,1H3;3-4H,1-2H3;4*3H,1-2H3;1H/b;2*8-5+
• InChIKey: MAYBWBAJJYBVNJ-IOSQFDRISA-N
• XLogP: 24.05
• TPSA: 116.15 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 4
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1401.06
LogP ≤ 5	24.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-methylthiophene;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;3,4-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;2,3-dimethylthiophene;3-isocyano-2-methylthiophene;(E)-N-methoxy-1-(2-methylthiophen-3-yl)methanimine;N-methyl-1-(2-methylthiophen-3-yl)methanimine;2-methyl-3-(trifluoromethyl)thiophene;2,3,4-trimethylthiophene;hydrofluoride?

The IUPAC name of 3-cyclopropyl-2-methylthiophene;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;3,4-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;2,3-dimethylthiophene;3-isocyano-2-methylthiophene;(E)-N-methoxy-1-(2-methylthiophen-3-yl)methanimine;N-methyl-1-(2-methylthiophen-3-yl)methanimine;2-methyl-3-(trifluoromethyl)thiophene;2,3,4-trimethylthiophene;hydrofluoride (CID 172983729) is 3-cyclopropyl-2-methylthiophene;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;3,4-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;2,3-dimethylthiophene;3-isocyano-2-methylthiophene;(E)-N-methoxy-1-(2-methylthiophen-3-yl)methanimine;N-methyl-1-(2-methylthiophen-3-yl)methanimine;2-methyl-3-(trifluoromethyl)thiophene;2,3,4-trimethylthiophene;hydrofluoride.

What is the SMILES notation for 3-cyclopropyl-2-methylthiophene;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;3,4-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;2,3-dimethylthiophene;3-isocyano-2-methylthiophene;(E)-N-methoxy-1-(2-methylthiophen-3-yl)methanimine;N-methyl-1-(2-methylthiophen-3-yl)methanimine;2-methyl-3-(trifluoromethyl)thiophene;2,3,4-trimethylthiophene;hydrofluoride?

The canonical SMILES for 3-cyclopropyl-2-methylthiophene;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;3,4-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;2,3-dimethylthiophene;3-isocyano-2-methylthiophene;(E)-N-methoxy-1-(2-methylthiophen-3-yl)methanimine;N-methyl-1-(2-methylthiophen-3-yl)methanimine;2-methyl-3-(trifluoromethyl)thiophene;2,3,4-trimethylthiophene;hydrofluoride is C/N=C/c1ccsc1C.CO/N=C/c1ccsc1C.Cc1ccsc1C.Cc1cnoc1C.Cc1cnsc1C.Cc1conc1C.Cc1csc(C)c1C.Cc1csnc1C.Cc1sccc1C(F)(F)F.Cc1sccc1C1CC1.F.[C-]#[N+]c1ccsc1C.

What is the InChIKey of 3-cyclopropyl-2-methylthiophene;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;3,4-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;2,3-dimethylthiophene;3-isocyano-2-methylthiophene;(E)-N-methoxy-1-(2-methylthiophen-3-yl)methanimine;N-methyl-1-(2-methylthiophen-3-yl)methanimine;2-methyl-3-(trifluoromethyl)thiophene;2,3,4-trimethylthiophene;hydrofluoride?

The InChIKey is MAYBWBAJJYBVNJ-IOSQFDRISA-N. The full InChI is InChI=1S/C8H10S.C7H9NOS.C7H9NS.C7H10S.C6H5F3S.C6H5NS.C6H8S.2C5H7NO.2C5H7NS.FH/c1-6-8(4-5-9-6)7-2-3-7;1-6-7(3-4-10-6)5-8-9-2;1-6-7(5-8-2)3-4-9-6;1-5-4-8-7(3)6(5)2;1-4-5(2-3-10-4)6(7,8)9;1-5-6(7-2)3-4-8-5;1-5-3-4-7-6(5)2;1-4-3-7-6-5(4)2;1-4-3-6-7-5(4)2;1-4-3-7-6-5(4)2;1-4-3-6-7-5(4)2;/h4-5,7H,2-3H2,1H3;3-5H,1-2H3;3-5H,1-2H3;4H,1-3H3;2-3H,1H3;3-4H,1H3;3-4H,1-2H3;4*3H,1-2H3;1H/b;2*8-5+;;;;;;;;;.

What are the key properties of 3-cyclopropyl-2-methylthiophene;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;3,4-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;2,3-dimethylthiophene;3-isocyano-2-methylthiophene;(E)-N-methoxy-1-(2-methylthiophen-3-yl)methanimine;N-methyl-1-(2-methylthiophen-3-yl)methanimine;2-methyl-3-(trifluoromethyl)thiophene;2,3,4-trimethylthiophene;hydrofluoride?

3-cyclopropyl-2-methylthiophene;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;3,4-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;2,3-dimethylthiophene;3-isocyano-2-methylthiophene;(E)-N-methoxy-1-(2-methylthiophen-3-yl)methanimine;N-methyl-1-(2-methylthiophen-3-yl)methanimine;2-methyl-3-(trifluoromethyl)thiophene;2,3,4-trimethylthiophene;hydrofluoride has a molecular weight of 1401.06 g/mol, XLogP of 24.05, 4 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopropyl-2-methylthiophene;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;3,4-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;2,3-dimethylthiophene;3-isocyano-2-methylthiophene;(E)-N-methoxy-1-(2-methylthiophen-3-yl)methanimine;N-methyl-1-(2-methylthiophen-3-yl)methanimine;2-methyl-3-(trifluoromethyl)thiophene;2,3,4-trimethylthiophene;hydrofluoride is sourced from PubChem (CID 172983729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).