2-tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;cumene;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;2,3-dimethylbutane;5-fluoro-2-propan-2-ylpyridine;methane;1-methyl-4-(2-methylpropyl)benzene;methyl 3-propan-2-ylbenzoate;methyl 4-propan-2-ylbenzoate;1-methyl-3-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;bis(2-methylpropylbenzene);2-propan-2-yloxane;1-(2-propan-2-yl-1,3-oxazol-4-yl)ethanone

C142H242FN11O7S3 — CID 157249195

About 2-tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;cumene;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;2,3-dimethylbutane;5-fluoro-2-propan-2-ylpyridine;methane;1-methyl-4-(2-methylpropyl)benzene;methyl 3-propan-2-ylbenzoate;methyl 4-propan-2-ylbenzoate;1-methyl-3-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;bis(2-methylpropylbenzene);2-propan-2-yloxane;1-(2-propan-2-yl-1,3-oxazol-4-yl)ethanone

2-tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;cumene;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;2,3-dimethylbutane;5-fluoro-2-propan-2-ylpyridine;methane;1-methyl-4-(2-methylpropyl)benzene;methyl 3-propan-2-ylbenzoate;methyl 4-propan-2-ylbenzoate;1-methyl-3-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;bis(2-methylpropylbenzene);2-propan-2-yloxane;1-(2-propan-2-yl-1,3-oxazol-4-yl)ethanone (PubChem CID 157249195) has the molecular formula C142H242FN11O7S3 and a molecular weight of 2330.77 g/mol. Its IUPAC name is 2-tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;cumene;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;2,3-dimethylbutane;5-fluoro-2-propan-2-ylpyridine;methane;1-methyl-4-(2-methylpropyl)benzene;methyl 3-propan-2-ylbenzoate;methyl 4-propan-2-ylbenzoate;1-methyl-3-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;bis(2-methylpropylbenzene);2-propan-2-yloxane;1-(2-propan-2-yl-1,3-oxazol-4-yl)ethanone.

Molecular Properties

• Compound Name: 2-tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;cumene;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;2,3-dimethylbutane;5-fluoro-2-propan-2-ylpyridine;methane;1-methyl-4-(2-methylpropyl)benzene;methyl 3-propan-2-ylbenzoate;methyl 4-propan-2-ylbenzoate;1-methyl-3-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;bis(2-methylpropylbenzene);2-propan-2-yloxane;1-(2-propan-2-yl-1,3-oxazol-4-yl)ethanone
• PubChem CID: 157249195
• Molecular Formula: C142H242FN11O7S3
• Molecular Weight: 2330.77 g/mol
• Exact Mass: 2328.81
• IUPAC Name: 2-tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;cumene;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;2,3-dimethylbutane;5-fluoro-2-propan-2-ylpyridine;methane;1-methyl-4-(2-methylpropyl)benzene;methyl 3-propan-2-ylbenzoate;methyl 4-propan-2-ylbenzoate;1-methyl-3-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;bis(2-methylpropylbenzene);2-propan-2-yloxane;1-(2-propan-2-yl-1,3-oxazol-4-yl)ethanone
• SMILES: C.C.C.C.C.C.C.C.C.C.C.CC(=O)c1coc(C(C)C)n1.CC(C)C(C)C.CC(C)C1CCCCO1.CC(C)Cc1ccccc1.CC(C)Cc1ccccc1.CC(C)c1ccc(F)cn1.CC(C)c1ccccc1.CC(C)c1ccn(C)n1.CC(C)c1nnc(C(C)(C)C)s1.CC(C)c1nnc(C2CC2)s1.COC(=O)c1ccc(C(C)C)cc1.COC(=O)c1cccc(C(C)C)c1.Cc1ccc(CC(C)C)cc1.Cc1cccc(C(C)C)n1.Cc1nnc(C(C)C)s1
• InChI: InChI=1S/2C11H14O2.C11H16.2C10H14.C9H16N2S.C9H13N.C9H12.C8H10FN.C8H12N2S.C8H11NO2.C8H16O.C7H12N2.C6H10N2S.C6H14.11CH4/c1-8(2)9-4-6-10(7-5-9)11(12)13-3;1-8(2)9-5-4-6-10(7-9)11(12)13-3;1-9(2)8-11-6-4-10(3)5-7-11;2*1-9(2)8-10-6-4-3-5-7-10;1-6(2)7-10-11-8(12-7)9(3,4)5;1-7(2)9-6-4-5-8(3)10-9;1-8(2)9-6-4-3-5-7-9;1-6(2)8-4-3-7(9)5-10-8;1-5(2)7-9-10-8(11-7)6-3-4-6;1-5(2)8-9-7(4-11-8)6(3)10;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-5-9(3)8-7;1-4(2)6-8-7-5(3)9-6;1-5(2)6(3)4;;;;;;;;;;;/h2*4-8H,1-3H3;4-7,9H,8H2,1-3H3;2*3-7,9H,8H2,1-2H3;6H,1-5H3;4-7H,1-3H3;3-8H,1-2H3;3-6H,1-2H3;5-6H,3-4H2,1-2H3;4-5H,1-3H3;7-8H,3-6H2,1-2H3;4-6H,1-3H3;4H,1-3H3;5-6H,1-4H3;11*1H4
• InChIKey: AWDHPUSMTRLFRE-UHFFFAOYSA-N
• XLogP: 44.34
• TPSA: 225.87 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 22
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2330.77
LogP ≤ 5	44.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;cumene;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;2,3-dimethylbutane;5-fluoro-2-propan-2-ylpyridine;methane;1-methyl-4-(2-methylpropyl)benzene;methyl 3-propan-2-ylbenzoate;methyl 4-propan-2-ylbenzoate;1-methyl-3-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;bis(2-methylpropylbenzene);2-propan-2-yloxane;1-(2-propan-2-yl-1,3-oxazol-4-yl)ethanone?

The IUPAC name of 2-tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;cumene;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;2,3-dimethylbutane;5-fluoro-2-propan-2-ylpyridine;methane;1-methyl-4-(2-methylpropyl)benzene;methyl 3-propan-2-ylbenzoate;methyl 4-propan-2-ylbenzoate;1-methyl-3-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;bis(2-methylpropylbenzene);2-propan-2-yloxane;1-(2-propan-2-yl-1,3-oxazol-4-yl)ethanone (CID 157249195) is 2-tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;cumene;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;2,3-dimethylbutane;5-fluoro-2-propan-2-ylpyridine;methane;1-methyl-4-(2-methylpropyl)benzene;methyl 3-propan-2-ylbenzoate;methyl 4-propan-2-ylbenzoate;1-methyl-3-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;bis(2-methylpropylbenzene);2-propan-2-yloxane;1-(2-propan-2-yl-1,3-oxazol-4-yl)ethanone.

What is the SMILES notation for 2-tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;cumene;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;2,3-dimethylbutane;5-fluoro-2-propan-2-ylpyridine;methane;1-methyl-4-(2-methylpropyl)benzene;methyl 3-propan-2-ylbenzoate;methyl 4-propan-2-ylbenzoate;1-methyl-3-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;bis(2-methylpropylbenzene);2-propan-2-yloxane;1-(2-propan-2-yl-1,3-oxazol-4-yl)ethanone?

The canonical SMILES for 2-tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;cumene;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;2,3-dimethylbutane;5-fluoro-2-propan-2-ylpyridine;methane;1-methyl-4-(2-methylpropyl)benzene;methyl 3-propan-2-ylbenzoate;methyl 4-propan-2-ylbenzoate;1-methyl-3-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;bis(2-methylpropylbenzene);2-propan-2-yloxane;1-(2-propan-2-yl-1,3-oxazol-4-yl)ethanone is C.C.C.C.C.C.C.C.C.C.C.CC(=O)c1coc(C(C)C)n1.CC(C)C(C)C.CC(C)C1CCCCO1.CC(C)Cc1ccccc1.CC(C)Cc1ccccc1.CC(C)c1ccc(F)cn1.CC(C)c1ccccc1.CC(C)c1ccn(C)n1.CC(C)c1nnc(C(C)(C)C)s1.CC(C)c1nnc(C2CC2)s1.COC(=O)c1ccc(C(C)C)cc1.COC(=O)c1cccc(C(C)C)c1.Cc1ccc(CC(C)C)cc1.Cc1cccc(C(C)C)n1.Cc1nnc(C(C)C)s1.

What is the InChIKey of 2-tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;cumene;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;2,3-dimethylbutane;5-fluoro-2-propan-2-ylpyridine;methane;1-methyl-4-(2-methylpropyl)benzene;methyl 3-propan-2-ylbenzoate;methyl 4-propan-2-ylbenzoate;1-methyl-3-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;bis(2-methylpropylbenzene);2-propan-2-yloxane;1-(2-propan-2-yl-1,3-oxazol-4-yl)ethanone?

The InChIKey is AWDHPUSMTRLFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H14O2.C11H16.2C10H14.C9H16N2S.C9H13N.C9H12.C8H10FN.C8H12N2S.C8H11NO2.C8H16O.C7H12N2.C6H10N2S.C6H14.11CH4/c1-8(2)9-4-6-10(7-5-9)11(12)13-3;1-8(2)9-5-4-6-10(7-9)11(12)13-3;1-9(2)8-11-6-4-10(3)5-7-11;2*1-9(2)8-10-6-4-3-5-7-10;1-6(2)7-10-11-8(12-7)9(3,4)5;1-7(2)9-6-4-5-8(3)10-9;1-8(2)9-6-4-3-5-7-9;1-6(2)8-4-3-7(9)5-10-8;1-5(2)7-9-10-8(11-7)6-3-4-6;1-5(2)8-9-7(4-11-8)6(3)10;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-5-9(3)8-7;1-4(2)6-8-7-5(3)9-6;1-5(2)6(3)4;;;;;;;;;;;/h2*4-8H,1-3H3;4-7,9H,8H2,1-3H3;2*3-7,9H,8H2,1-2H3;6H,1-5H3;4-7H,1-3H3;3-8H,1-2H3;3-6H,1-2H3;5-6H,3-4H2,1-2H3;4-5H,1-3H3;7-8H,3-6H2,1-2H3;4-6H,1-3H3;4H,1-3H3;5-6H,1-4H3;11*1H4.

What are the key properties of 2-tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;cumene;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;2,3-dimethylbutane;5-fluoro-2-propan-2-ylpyridine;methane;1-methyl-4-(2-methylpropyl)benzene;methyl 3-propan-2-ylbenzoate;methyl 4-propan-2-ylbenzoate;1-methyl-3-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;bis(2-methylpropylbenzene);2-propan-2-yloxane;1-(2-propan-2-yl-1,3-oxazol-4-yl)ethanone?

2-tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;cumene;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;2,3-dimethylbutane;5-fluoro-2-propan-2-ylpyridine;methane;1-methyl-4-(2-methylpropyl)benzene;methyl 3-propan-2-ylbenzoate;methyl 4-propan-2-ylbenzoate;1-methyl-3-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;bis(2-methylpropylbenzene);2-propan-2-yloxane;1-(2-propan-2-yl-1,3-oxazol-4-yl)ethanone has a molecular weight of 2330.77 g/mol, XLogP of 44.34, 22 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;cumene;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;2,3-dimethylbutane;5-fluoro-2-propan-2-ylpyridine;methane;1-methyl-4-(2-methylpropyl)benzene;methyl 3-propan-2-ylbenzoate;methyl 4-propan-2-ylbenzoate;1-methyl-3-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;bis(2-methylpropylbenzene);2-propan-2-yloxane;1-(2-propan-2-yl-1,3-oxazol-4-yl)ethanone is sourced from PubChem (CID 157249195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).