2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;1-tert-butylpyrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2,6-dimethyl-3-propan-2-ylpyridine;N-hydrazinylidene-2,2-dimethylpropanimidamide;2-methoxy-4-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;3-propan-2-ylpyridine;4-propan-2-ylpyridine-2-carboxylic acid;5-propan-2-ylpyridine-3-carboxylic acid

C107H165N21O7S5 — CID 164950340

About 2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;1-tert-butylpyrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2,6-dimethyl-3-propan-2-ylpyridine;N-hydrazinylidene-2,2-dimethylpropanimidamide;2-methoxy-4-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;3-propan-2-ylpyridine;4-propan-2-ylpyridine-2-carboxylic acid;5-propan-2-ylpyridine-3-carboxylic acid

2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;1-tert-butylpyrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2,6-dimethyl-3-propan-2-ylpyridine;N-hydrazinylidene-2,2-dimethylpropanimidamide;2-methoxy-4-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;3-propan-2-ylpyridine;4-propan-2-ylpyridine-2-carboxylic acid;5-propan-2-ylpyridine-3-carboxylic acid (PubChem CID 164950340) has the molecular formula C107H165N21O7S5 and a molecular weight of 2017.97 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;1-tert-butylpyrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2,6-dimethyl-3-propan-2-ylpyridine;N-hydrazinylidene-2,2-dimethylpropanimidamide;2-methoxy-4-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;3-propan-2-ylpyridine;4-propan-2-ylpyridine-2-carboxylic acid;5-propan-2-ylpyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;1-tert-butylpyrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2,6-dimethyl-3-propan-2-ylpyridine;N-hydrazinylidene-2,2-dimethylpropanimidamide;2-methoxy-4-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;3-propan-2-ylpyridine;4-propan-2-ylpyridine-2-carboxylic acid;5-propan-2-ylpyridine-3-carboxylic acid
• PubChem CID: 164950340
• Molecular Formula: C107H165N21O7S5
• Molecular Weight: 2017.97 g/mol
• Exact Mass: 2016.18
• IUPAC Name: 2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;1-tert-butylpyrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2,6-dimethyl-3-propan-2-ylpyridine;N-hydrazinylidene-2,2-dimethylpropanimidamide;2-methoxy-4-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;3-propan-2-ylpyridine;4-propan-2-ylpyridine-2-carboxylic acid;5-propan-2-ylpyridine-3-carboxylic acid
• SMILES: CC(C)(C)c1cncs1.CC(C)(C)c1cscn1.CC(C)(C)c1nccs1.CC(C)(C)c1nnco1.CC(C)(C)n1cccn1.CC(C)c1cccnc1.CC(C)c1ccnc(C(=O)O)c1.CC(C)c1cncc(C(=O)O)c1.COc1cc(C(C)C)ccn1.COc1ncc(C(C)C)cn1.Cc1ccc(C(C)C)c(C)n1.Cc1ncc(C(C)(C)C)s1.Cc1nnc(C(C)(C)C)s1.[H]/N=C(\N=N\N)C(C)(C)C
• InChI: InChI=1S/C10H15N.2C9H11NO2.C9H13NO.C8H12N2O.C8H13NS.C8H11N.C7H12N2S.C7H12N2.3C7H11NS.C6H10N2O.C5H12N4/c1-7(2)10-6-5-8(3)11-9(10)4;1-6(2)7-3-8(9(11)12)5-10-4-7;1-6(2)7-3-4-10-8(5-7)9(11)12;1-7(2)8-4-5-10-9(6-8)11-3;1-6(2)7-4-9-8(11-3)10-5-7;1-6-9-5-7(10-6)8(2,3)4;1-7(2)8-4-3-5-9-6-8;1-5-8-9-6(10-5)7(2,3)4;1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-8-7-4-9-5;1-5(2,3)4(6)8-9-7/h5-7H,1-4H3;2*3-6H,1-2H3,(H,11,12);4-7H,1-3H3;4-6H,1-3H3;5H,1-4H3;3-7H,1-2H3;1-4H3;4-6H,1-3H3;3*4-5H,1-3H3;4H,1-3H3;1-3H3,(H3,6,7,8)
• InChIKey: ALCFXYBIZICFAD-UHFFFAOYSA-N
• XLogP: 29.21
• TPSA: 391.96 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 10
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2017.97
LogP ≤ 5	29.21
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;1-tert-butylpyrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2,6-dimethyl-3-propan-2-ylpyridine;N-hydrazinylidene-2,2-dimethylpropanimidamide;2-methoxy-4-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;3-propan-2-ylpyridine;4-propan-2-ylpyridine-2-carboxylic acid;5-propan-2-ylpyridine-3-carboxylic acid?

The IUPAC name of 2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;1-tert-butylpyrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2,6-dimethyl-3-propan-2-ylpyridine;N-hydrazinylidene-2,2-dimethylpropanimidamide;2-methoxy-4-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;3-propan-2-ylpyridine;4-propan-2-ylpyridine-2-carboxylic acid;5-propan-2-ylpyridine-3-carboxylic acid (CID 164950340) is 2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;1-tert-butylpyrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2,6-dimethyl-3-propan-2-ylpyridine;N-hydrazinylidene-2,2-dimethylpropanimidamide;2-methoxy-4-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;3-propan-2-ylpyridine;4-propan-2-ylpyridine-2-carboxylic acid;5-propan-2-ylpyridine-3-carboxylic acid.

What is the SMILES notation for 2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;1-tert-butylpyrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2,6-dimethyl-3-propan-2-ylpyridine;N-hydrazinylidene-2,2-dimethylpropanimidamide;2-methoxy-4-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;3-propan-2-ylpyridine;4-propan-2-ylpyridine-2-carboxylic acid;5-propan-2-ylpyridine-3-carboxylic acid?

The canonical SMILES for 2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;1-tert-butylpyrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2,6-dimethyl-3-propan-2-ylpyridine;N-hydrazinylidene-2,2-dimethylpropanimidamide;2-methoxy-4-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;3-propan-2-ylpyridine;4-propan-2-ylpyridine-2-carboxylic acid;5-propan-2-ylpyridine-3-carboxylic acid is CC(C)(C)c1cncs1.CC(C)(C)c1cscn1.CC(C)(C)c1nccs1.CC(C)(C)c1nnco1.CC(C)(C)n1cccn1.CC(C)c1cccnc1.CC(C)c1ccnc(C(=O)O)c1.CC(C)c1cncc(C(=O)O)c1.COc1cc(C(C)C)ccn1.COc1ncc(C(C)C)cn1.Cc1ccc(C(C)C)c(C)n1.Cc1ncc(C(C)(C)C)s1.Cc1nnc(C(C)(C)C)s1.[H]/N=C(\N=N\N)C(C)(C)C.

What is the InChIKey of 2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;1-tert-butylpyrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2,6-dimethyl-3-propan-2-ylpyridine;N-hydrazinylidene-2,2-dimethylpropanimidamide;2-methoxy-4-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;3-propan-2-ylpyridine;4-propan-2-ylpyridine-2-carboxylic acid;5-propan-2-ylpyridine-3-carboxylic acid?

The InChIKey is ALCFXYBIZICFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.2C9H11NO2.C9H13NO.C8H12N2O.C8H13NS.C8H11N.C7H12N2S.C7H12N2.3C7H11NS.C6H10N2O.C5H12N4/c1-7(2)10-6-5-8(3)11-9(10)4;1-6(2)7-3-8(9(11)12)5-10-4-7;1-6(2)7-3-4-10-8(5-7)9(11)12;1-7(2)8-4-5-10-9(6-8)11-3;1-6(2)7-4-9-8(11-3)10-5-7;1-6-9-5-7(10-6)8(2,3)4;1-7(2)8-4-3-5-9-6-8;1-5-8-9-6(10-5)7(2,3)4;1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-8-7-4-9-5;1-5(2,3)4(6)8-9-7/h5-7H,1-4H3;2*3-6H,1-2H3,(H,11,12);4-7H,1-3H3;4-6H,1-3H3;5H,1-4H3;3-7H,1-2H3;1-4H3;4-6H,1-3H3;3*4-5H,1-3H3;4H,1-3H3;1-3H3,(H3,6,7,8).

What are the key properties of 2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;1-tert-butylpyrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2,6-dimethyl-3-propan-2-ylpyridine;N-hydrazinylidene-2,2-dimethylpropanimidamide;2-methoxy-4-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;3-propan-2-ylpyridine;4-propan-2-ylpyridine-2-carboxylic acid;5-propan-2-ylpyridine-3-carboxylic acid?

2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;1-tert-butylpyrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2,6-dimethyl-3-propan-2-ylpyridine;N-hydrazinylidene-2,2-dimethylpropanimidamide;2-methoxy-4-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;3-propan-2-ylpyridine;4-propan-2-ylpyridine-2-carboxylic acid;5-propan-2-ylpyridine-3-carboxylic acid has a molecular weight of 2017.97 g/mol, XLogP of 29.21, 10 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;1-tert-butylpyrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2,6-dimethyl-3-propan-2-ylpyridine;N-hydrazinylidene-2,2-dimethylpropanimidamide;2-methoxy-4-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;3-propan-2-ylpyridine;4-propan-2-ylpyridine-2-carboxylic acid;5-propan-2-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 164950340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).