2-tert-butyl-5-methylthiophene;2,5-dimethylpyridine;2,5-dimethylthiophene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-furo[2,3-b]pyridin-4-ylsulfanyl-1-(5-methylthiophen-2-yl)ethanone;2-[(2-methylpyrazol-3-yl)methoxy]-1-(5-methylthiophen-2-yl)ethanone;1-(5-methylthiophen-2-yl)-2-(1,2-oxazol-5-ylamino)ethanone;1-(5-methylthiophen-2-yl)-2-(pyridin-2-ylmethylamino)ethanone;1-(5-methylthiophen-2-yl)-2-(pyridin-3-ylmethylsulfanyl)ethanone

C98H107F2N9O8S9 — CID 159645368

About 2-tert-butyl-5-methylthiophene;2,5-dimethylpyridine;2,5-dimethylthiophene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-furo[2,3-b]pyridin-4-ylsulfanyl-1-(5-methylthiophen-2-yl)ethanone;2-[(2-methylpyrazol-3-yl)methoxy]-1-(5-methylthiophen-2-yl)ethanone;1-(5-methylthiophen-2-yl)-2-(1,2-oxazol-5-ylamino)ethanone;1-(5-methylthiophen-2-yl)-2-(pyridin-2-ylmethylamino)ethanone;1-(5-methylthiophen-2-yl)-2-(pyridin-3-ylmethylsulfanyl)ethanone

2-tert-butyl-5-methylthiophene;2,5-dimethylpyridine;2,5-dimethylthiophene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-furo[2,3-b]pyridin-4-ylsulfanyl-1-(5-methylthiophen-2-yl)ethanone;2-[(2-methylpyrazol-3-yl)methoxy]-1-(5-methylthiophen-2-yl)ethanone;1-(5-methylthiophen-2-yl)-2-(1,2-oxazol-5-ylamino)ethanone;1-(5-methylthiophen-2-yl)-2-(pyridin-2-ylmethylamino)ethanone;1-(5-methylthiophen-2-yl)-2-(pyridin-3-ylmethylsulfanyl)ethanone (PubChem CID 159645368) has the molecular formula C98H107F2N9O8S9 and a molecular weight of 1865.59 g/mol. Its IUPAC name is 2-tert-butyl-5-methylthiophene;2,5-dimethylpyridine;2,5-dimethylthiophene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-furo[2,3-b]pyridin-4-ylsulfanyl-1-(5-methylthiophen-2-yl)ethanone;2-[(2-methylpyrazol-3-yl)methoxy]-1-(5-methylthiophen-2-yl)ethanone;1-(5-methylthiophen-2-yl)-2-(1,2-oxazol-5-ylamino)ethanone;1-(5-methylthiophen-2-yl)-2-(pyridin-2-ylmethylamino)ethanone;1-(5-methylthiophen-2-yl)-2-(pyridin-3-ylmethylsulfanyl)ethanone.

Molecular Properties

• Compound Name: 2-tert-butyl-5-methylthiophene;2,5-dimethylpyridine;2,5-dimethylthiophene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-furo[2,3-b]pyridin-4-ylsulfanyl-1-(5-methylthiophen-2-yl)ethanone;2-[(2-methylpyrazol-3-yl)methoxy]-1-(5-methylthiophen-2-yl)ethanone;1-(5-methylthiophen-2-yl)-2-(1,2-oxazol-5-ylamino)ethanone;1-(5-methylthiophen-2-yl)-2-(pyridin-2-ylmethylamino)ethanone;1-(5-methylthiophen-2-yl)-2-(pyridin-3-ylmethylsulfanyl)ethanone
• PubChem CID: 159645368
• Molecular Formula: C98H107F2N9O8S9
• Molecular Weight: 1865.59 g/mol
• Exact Mass: 1863.57
• IUPAC Name: 2-tert-butyl-5-methylthiophene;2,5-dimethylpyridine;2,5-dimethylthiophene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-furo[2,3-b]pyridin-4-ylsulfanyl-1-(5-methylthiophen-2-yl)ethanone;2-[(2-methylpyrazol-3-yl)methoxy]-1-(5-methylthiophen-2-yl)ethanone;1-(5-methylthiophen-2-yl)-2-(1,2-oxazol-5-ylamino)ethanone;1-(5-methylthiophen-2-yl)-2-(pyridin-2-ylmethylamino)ethanone;1-(5-methylthiophen-2-yl)-2-(pyridin-3-ylmethylsulfanyl)ethanone
• SMILES: Cc1ccc(C(=O)CNCc2ccccn2)s1.Cc1ccc(C(=O)CNc2ccno2)s1.Cc1ccc(C(=O)COCc2ccnn2C)s1.Cc1ccc(C(=O)CSCc2cccnc2)s1.Cc1ccc(C(=O)CSc2ccnc3occc23)s1.Cc1ccc(C(C)(C)C)s1.Cc1ccc(C)nc1.Cc1ccc(C)s1.Cc1ccc(F)cc1.Cc1cccc(F)c1
• InChI: InChI=1S/C14H11NO2S2.C13H14N2OS.C13H13NOS2.C12H14N2O2S.C10H10N2O2S.C9H14S.2C7H7F.C7H9N.C6H8S/c1-9-2-3-13(19-9)11(16)8-18-12-4-6-15-14-10(12)5-7-17-14;1-10-5-6-13(17-10)12(16)9-14-8-11-4-2-3-7-15-11;1-10-4-5-13(17-10)12(15)9-16-8-11-3-2-6-14-7-11;1-9-3-4-12(17-9)11(15)8-16-7-10-5-6-13-14(10)2;1-7-2-3-9(15-7)8(13)6-11-10-4-5-12-14-10;1-7-5-6-8(10-7)9(2,3)4;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-3-4-7(2)8-5-6;1-5-3-4-6(2)7-5/h2-7H,8H2,1H3;2-7,14H,8-9H2,1H3;2-7H,8-9H2,1H3;3-6H,7-8H2,1-2H3;2-5,11H,6H2,1H3;5-6H,1-4H3;2*2-5H,1H3;3-5H,1-2H3;3-4H,1-2H3
• InChIKey: MQWTUXDWELOXMW-UHFFFAOYSA-N
• XLogP: 26.38
• TPSA: 227.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 23
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1865.59
LogP ≤ 5	26.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methylthiophene;2,5-dimethylpyridine;2,5-dimethylthiophene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-furo[2,3-b]pyridin-4-ylsulfanyl-1-(5-methylthiophen-2-yl)ethanone;2-[(2-methylpyrazol-3-yl)methoxy]-1-(5-methylthiophen-2-yl)ethanone;1-(5-methylthiophen-2-yl)-2-(1,2-oxazol-5-ylamino)ethanone;1-(5-methylthiophen-2-yl)-2-(pyridin-2-ylmethylamino)ethanone;1-(5-methylthiophen-2-yl)-2-(pyridin-3-ylmethylsulfanyl)ethanone?

The IUPAC name of 2-tert-butyl-5-methylthiophene;2,5-dimethylpyridine;2,5-dimethylthiophene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-furo[2,3-b]pyridin-4-ylsulfanyl-1-(5-methylthiophen-2-yl)ethanone;2-[(2-methylpyrazol-3-yl)methoxy]-1-(5-methylthiophen-2-yl)ethanone;1-(5-methylthiophen-2-yl)-2-(1,2-oxazol-5-ylamino)ethanone;1-(5-methylthiophen-2-yl)-2-(pyridin-2-ylmethylamino)ethanone;1-(5-methylthiophen-2-yl)-2-(pyridin-3-ylmethylsulfanyl)ethanone (CID 159645368) is 2-tert-butyl-5-methylthiophene;2,5-dimethylpyridine;2,5-dimethylthiophene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-furo[2,3-b]pyridin-4-ylsulfanyl-1-(5-methylthiophen-2-yl)ethanone;2-[(2-methylpyrazol-3-yl)methoxy]-1-(5-methylthiophen-2-yl)ethanone;1-(5-methylthiophen-2-yl)-2-(1,2-oxazol-5-ylamino)ethanone;1-(5-methylthiophen-2-yl)-2-(pyridin-2-ylmethylamino)ethanone;1-(5-methylthiophen-2-yl)-2-(pyridin-3-ylmethylsulfanyl)ethanone.

What is the SMILES notation for 2-tert-butyl-5-methylthiophene;2,5-dimethylpyridine;2,5-dimethylthiophene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-furo[2,3-b]pyridin-4-ylsulfanyl-1-(5-methylthiophen-2-yl)ethanone;2-[(2-methylpyrazol-3-yl)methoxy]-1-(5-methylthiophen-2-yl)ethanone;1-(5-methylthiophen-2-yl)-2-(1,2-oxazol-5-ylamino)ethanone;1-(5-methylthiophen-2-yl)-2-(pyridin-2-ylmethylamino)ethanone;1-(5-methylthiophen-2-yl)-2-(pyridin-3-ylmethylsulfanyl)ethanone?

The canonical SMILES for 2-tert-butyl-5-methylthiophene;2,5-dimethylpyridine;2,5-dimethylthiophene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-furo[2,3-b]pyridin-4-ylsulfanyl-1-(5-methylthiophen-2-yl)ethanone;2-[(2-methylpyrazol-3-yl)methoxy]-1-(5-methylthiophen-2-yl)ethanone;1-(5-methylthiophen-2-yl)-2-(1,2-oxazol-5-ylamino)ethanone;1-(5-methylthiophen-2-yl)-2-(pyridin-2-ylmethylamino)ethanone;1-(5-methylthiophen-2-yl)-2-(pyridin-3-ylmethylsulfanyl)ethanone is Cc1ccc(C(=O)CNCc2ccccn2)s1.Cc1ccc(C(=O)CNc2ccno2)s1.Cc1ccc(C(=O)COCc2ccnn2C)s1.Cc1ccc(C(=O)CSCc2cccnc2)s1.Cc1ccc(C(=O)CSc2ccnc3occc23)s1.Cc1ccc(C(C)(C)C)s1.Cc1ccc(C)nc1.Cc1ccc(C)s1.Cc1ccc(F)cc1.Cc1cccc(F)c1.

What is the InChIKey of 2-tert-butyl-5-methylthiophene;2,5-dimethylpyridine;2,5-dimethylthiophene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-furo[2,3-b]pyridin-4-ylsulfanyl-1-(5-methylthiophen-2-yl)ethanone;2-[(2-methylpyrazol-3-yl)methoxy]-1-(5-methylthiophen-2-yl)ethanone;1-(5-methylthiophen-2-yl)-2-(1,2-oxazol-5-ylamino)ethanone;1-(5-methylthiophen-2-yl)-2-(pyridin-2-ylmethylamino)ethanone;1-(5-methylthiophen-2-yl)-2-(pyridin-3-ylmethylsulfanyl)ethanone?

The InChIKey is MQWTUXDWELOXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2S2.C13H14N2OS.C13H13NOS2.C12H14N2O2S.C10H10N2O2S.C9H14S.2C7H7F.C7H9N.C6H8S/c1-9-2-3-13(19-9)11(16)8-18-12-4-6-15-14-10(12)5-7-17-14;1-10-5-6-13(17-10)12(16)9-14-8-11-4-2-3-7-15-11;1-10-4-5-13(17-10)12(15)9-16-8-11-3-2-6-14-7-11;1-9-3-4-12(17-9)11(15)8-16-7-10-5-6-13-14(10)2;1-7-2-3-9(15-7)8(13)6-11-10-4-5-12-14-10;1-7-5-6-8(10-7)9(2,3)4;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-3-4-7(2)8-5-6;1-5-3-4-6(2)7-5/h2-7H,8H2,1H3;2-7,14H,8-9H2,1H3;2-7H,8-9H2,1H3;3-6H,7-8H2,1-2H3;2-5,11H,6H2,1H3;5-6H,1-4H3;2*2-5H,1H3;3-5H,1-2H3;3-4H,1-2H3.

What are the key properties of 2-tert-butyl-5-methylthiophene;2,5-dimethylpyridine;2,5-dimethylthiophene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-furo[2,3-b]pyridin-4-ylsulfanyl-1-(5-methylthiophen-2-yl)ethanone;2-[(2-methylpyrazol-3-yl)methoxy]-1-(5-methylthiophen-2-yl)ethanone;1-(5-methylthiophen-2-yl)-2-(1,2-oxazol-5-ylamino)ethanone;1-(5-methylthiophen-2-yl)-2-(pyridin-2-ylmethylamino)ethanone;1-(5-methylthiophen-2-yl)-2-(pyridin-3-ylmethylsulfanyl)ethanone?

2-tert-butyl-5-methylthiophene;2,5-dimethylpyridine;2,5-dimethylthiophene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-furo[2,3-b]pyridin-4-ylsulfanyl-1-(5-methylthiophen-2-yl)ethanone;2-[(2-methylpyrazol-3-yl)methoxy]-1-(5-methylthiophen-2-yl)ethanone;1-(5-methylthiophen-2-yl)-2-(1,2-oxazol-5-ylamino)ethanone;1-(5-methylthiophen-2-yl)-2-(pyridin-2-ylmethylamino)ethanone;1-(5-methylthiophen-2-yl)-2-(pyridin-3-ylmethylsulfanyl)ethanone has a molecular weight of 1865.59 g/mol, XLogP of 26.38, 23 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-5-methylthiophene;2,5-dimethylpyridine;2,5-dimethylthiophene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-furo[2,3-b]pyridin-4-ylsulfanyl-1-(5-methylthiophen-2-yl)ethanone;2-[(2-methylpyrazol-3-yl)methoxy]-1-(5-methylthiophen-2-yl)ethanone;1-(5-methylthiophen-2-yl)-2-(1,2-oxazol-5-ylamino)ethanone;1-(5-methylthiophen-2-yl)-2-(pyridin-2-ylmethylamino)ethanone;1-(5-methylthiophen-2-yl)-2-(pyridin-3-ylmethylsulfanyl)ethanone is sourced from PubChem (CID 159645368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).