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;5-tert-butyl-2H-tetrazole;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;2-methoxy-4-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine-2-carboxylic acid;5-propan-2-ylpyridine-3-carboxylic acid;(5-propan-2-ylpyrimidin-2-yl)methanol

C107H163N21O7S5 — CID 159825332

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;5-tert-butyl-2H-tetrazole;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;2-methoxy-4-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine-2-carboxylic acid;5-propan-2-ylpyridine-3-carboxylic acid;(5-propan-2-ylpyrimidin-2-yl)methanol

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;5-tert-butyl-2H-tetrazole;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;2-methoxy-4-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine-2-carboxylic acid;5-propan-2-ylpyridine-3-carboxylic acid;(5-propan-2-ylpyrimidin-2-yl)methanol (PubChem CID 159825332) has the molecular formula C107H163N21O7S5 and a molecular weight of 2015.96 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;5-tert-butyl-2H-tetrazole;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;2-methoxy-4-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine-2-carboxylic acid;5-propan-2-ylpyridine-3-carboxylic acid;(5-propan-2-ylpyrimidin-2-yl)methanol.

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;5-tert-butyl-2H-tetrazole;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;2-methoxy-4-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine-2-carboxylic acid;5-propan-2-ylpyridine-3-carboxylic acid;(5-propan-2-ylpyrimidin-2-yl)methanol
• PubChem CID: 159825332
• Molecular Formula: C107H163N21O7S5
• Molecular Weight: 2015.96 g/mol
• Exact Mass: 2014.16
• 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;5-tert-butyl-2H-tetrazole;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;2-methoxy-4-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine-2-carboxylic acid;5-propan-2-ylpyridine-3-carboxylic acid;(5-propan-2-ylpyrimidin-2-yl)methanol
• SMILES: CC(C)(C)c1cncs1.CC(C)(C)c1cscn1.CC(C)(C)c1nccs1.CC(C)(C)c1nn[nH]n1.CC(C)(C)c1nnco1.CC(C)(C)n1cccn1.CC(C)c1cccnc1.CC(C)c1ccnc(C(=O)O)c1.CC(C)c1cnc(CO)nc1.CC(C)c1cncc(C(=O)O)c1.COc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)c(C)n1.Cc1ncc(C(C)(C)C)s1.Cc1nnc(C(C)(C)C)s1
• InChI: InChI=1S/C10H15N.2C9H11NO2.C9H13NO.C8H12N2O.C8H13NS.C8H11N.C7H12N2S.C7H12N2.3C7H11NS.C6H10N2O.C5H10N4/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)7-3-9-8(5-11)10-4-7;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)4-6-8-9-7-4/h5-7H,1-4H3;2*3-6H,1-2H3,(H,11,12);4-7H,1-3H3;3-4,6,11H,5H2,1-2H3;5H,1-4H3;3-7H,1-2H3;1-4H3;4-6H,1-3H3;3*4-5H,1-3H3;4H,1-3H3;1-3H3,(H,6,7,8,9)
• InChIKey: NMTLVLGFHIQLPP-UHFFFAOYSA-N
• XLogP: 27.86
• TPSA: 382.83 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 10
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2015.96
LogP ≤ 5	27.86
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

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;5-tert-butyl-2H-tetrazole;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;2-methoxy-4-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine-2-carboxylic acid;5-propan-2-ylpyridine-3-carboxylic acid;(5-propan-2-ylpyrimidin-2-yl)methanol?

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;5-tert-butyl-2H-tetrazole;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;2-methoxy-4-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine-2-carboxylic acid;5-propan-2-ylpyridine-3-carboxylic acid;(5-propan-2-ylpyrimidin-2-yl)methanol (CID 159825332) 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;5-tert-butyl-2H-tetrazole;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;2-methoxy-4-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine-2-carboxylic acid;5-propan-2-ylpyridine-3-carboxylic acid;(5-propan-2-ylpyrimidin-2-yl)methanol.

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;5-tert-butyl-2H-tetrazole;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;2-methoxy-4-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine-2-carboxylic acid;5-propan-2-ylpyridine-3-carboxylic acid;(5-propan-2-ylpyrimidin-2-yl)methanol?

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;5-tert-butyl-2H-tetrazole;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;2-methoxy-4-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine-2-carboxylic acid;5-propan-2-ylpyridine-3-carboxylic acid;(5-propan-2-ylpyrimidin-2-yl)methanol is CC(C)(C)c1cncs1.CC(C)(C)c1cscn1.CC(C)(C)c1nccs1.CC(C)(C)c1nn[nH]n1.CC(C)(C)c1nnco1.CC(C)(C)n1cccn1.CC(C)c1cccnc1.CC(C)c1ccnc(C(=O)O)c1.CC(C)c1cnc(CO)nc1.CC(C)c1cncc(C(=O)O)c1.COc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)c(C)n1.Cc1ncc(C(C)(C)C)s1.Cc1nnc(C(C)(C)C)s1.

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;5-tert-butyl-2H-tetrazole;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;2-methoxy-4-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine-2-carboxylic acid;5-propan-2-ylpyridine-3-carboxylic acid;(5-propan-2-ylpyrimidin-2-yl)methanol?

The InChIKey is NMTLVLGFHIQLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.2C9H11NO2.C9H13NO.C8H12N2O.C8H13NS.C8H11N.C7H12N2S.C7H12N2.3C7H11NS.C6H10N2O.C5H10N4/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)7-3-9-8(5-11)10-4-7;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)4-6-8-9-7-4/h5-7H,1-4H3;2*3-6H,1-2H3,(H,11,12);4-7H,1-3H3;3-4,6,11H,5H2,1-2H3;5H,1-4H3;3-7H,1-2H3;1-4H3;4-6H,1-3H3;3*4-5H,1-3H3;4H,1-3H3;1-3H3,(H,6,7,8,9).

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;5-tert-butyl-2H-tetrazole;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;2-methoxy-4-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine-2-carboxylic acid;5-propan-2-ylpyridine-3-carboxylic acid;(5-propan-2-ylpyrimidin-2-yl)methanol?

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;5-tert-butyl-2H-tetrazole;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;2-methoxy-4-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine-2-carboxylic acid;5-propan-2-ylpyridine-3-carboxylic acid;(5-propan-2-ylpyrimidin-2-yl)methanol has a molecular weight of 2015.96 g/mol, XLogP of 27.86, 10 rotatable bonds, 4 hydrogen bond donors, and 30 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;5-tert-butyl-2H-tetrazole;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;2-methoxy-4-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine-2-carboxylic acid;5-propan-2-ylpyridine-3-carboxylic acid;(5-propan-2-ylpyrimidin-2-yl)methanol is sourced from PubChem (CID 159825332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).