bis(2-methyl-4-propan-2-yl-1,3-oxazole);2-methyl-5-propan-2-yl-1,3-oxazole;bis(2-methyl-4-propan-2-ylpyrimidine);bis(2-methyl-4-propan-2-yl-1,3-thiazole);bis(5-methyl-2-propan-2-yl-1,3-thiazole);4-methylsulfonyl-2-propan-2-yl-1,3-thiazole;(5-propan-2-yl-1,3-oxazol-4-yl)methanesulfinate;(2-propan-2-yl-3-pyridinyl)methanesulfinate;(2-propan-2-yl-3-pyridinyl)methanesulfonimidic acid;(4-propan-2-yl-1,3-thiazol-5-yl)methanesulfinate;(5-propan-2-yl-1,3-thiazol-4-yl)methanesulfinate;N-(2-propan-2-yl-1,3-thiazol-4-yl)methanesulfonamide;(4-propan-2-yl-1,3-thiazol-5-yl)methanesulfonimidic acid;(5-propan-2-yl-1,3-thiazol-4-yl)methanesulfonimidic acid

C132H204N24O22S19-4 — CID 157324498

About bis(2-methyl-4-propan-2-yl-1,3-oxazole);2-methyl-5-propan-2-yl-1,3-oxazole;bis(2-methyl-4-propan-2-ylpyrimidine);bis(2-methyl-4-propan-2-yl-1,3-thiazole);bis(5-methyl-2-propan-2-yl-1,3-thiazole);4-methylsulfonyl-2-propan-2-yl-1,3-thiazole;(5-propan-2-yl-1,3-oxazol-4-yl)methanesulfinate;(2-propan-2-yl-3-pyridinyl)methanesulfinate;(2-propan-2-yl-3-pyridinyl)methanesulfonimidic acid;(4-propan-2-yl-1,3-thiazol-5-yl)methanesulfinate;(5-propan-2-yl-1,3-thiazol-4-yl)methanesulfinate;N-(2-propan-2-yl-1,3-thiazol-4-yl)methanesulfonamide;(4-propan-2-yl-1,3-thiazol-5-yl)methanesulfonimidic acid;(5-propan-2-yl-1,3-thiazol-4-yl)methanesulfonimidic acid

bis(2-methyl-4-propan-2-yl-1,3-oxazole);2-methyl-5-propan-2-yl-1,3-oxazole;bis(2-methyl-4-propan-2-ylpyrimidine);bis(2-methyl-4-propan-2-yl-1,3-thiazole);bis(5-methyl-2-propan-2-yl-1,3-thiazole);4-methylsulfonyl-2-propan-2-yl-1,3-thiazole;(5-propan-2-yl-1,3-oxazol-4-yl)methanesulfinate;(2-propan-2-yl-3-pyridinyl)methanesulfinate;(2-propan-2-yl-3-pyridinyl)methanesulfonimidic acid;(4-propan-2-yl-1,3-thiazol-5-yl)methanesulfinate;(5-propan-2-yl-1,3-thiazol-4-yl)methanesulfinate;N-(2-propan-2-yl-1,3-thiazol-4-yl)methanesulfonamide;(4-propan-2-yl-1,3-thiazol-5-yl)methanesulfonimidic acid;(5-propan-2-yl-1,3-thiazol-4-yl)methanesulfonimidic acid (PubChem CID 157324498) has the molecular formula C132H204N24O22S19-4 and a molecular weight of 3088.50 g/mol. Its IUPAC name is bis(2-methyl-4-propan-2-yl-1,3-oxazole);2-methyl-5-propan-2-yl-1,3-oxazole;bis(2-methyl-4-propan-2-ylpyrimidine);bis(2-methyl-4-propan-2-yl-1,3-thiazole);bis(5-methyl-2-propan-2-yl-1,3-thiazole);4-methylsulfonyl-2-propan-2-yl-1,3-thiazole;(5-propan-2-yl-1,3-oxazol-4-yl)methanesulfinate;(2-propan-2-yl-3-pyridinyl)methanesulfinate;(2-propan-2-yl-3-pyridinyl)methanesulfonimidic acid;(4-propan-2-yl-1,3-thiazol-5-yl)methanesulfinate;(5-propan-2-yl-1,3-thiazol-4-yl)methanesulfinate;N-(2-propan-2-yl-1,3-thiazol-4-yl)methanesulfonamide;(4-propan-2-yl-1,3-thiazol-5-yl)methanesulfonimidic acid;(5-propan-2-yl-1,3-thiazol-4-yl)methanesulfonimidic acid.

Molecular Properties

• Compound Name: bis(2-methyl-4-propan-2-yl-1,3-oxazole);2-methyl-5-propan-2-yl-1,3-oxazole;bis(2-methyl-4-propan-2-ylpyrimidine);bis(2-methyl-4-propan-2-yl-1,3-thiazole);bis(5-methyl-2-propan-2-yl-1,3-thiazole);4-methylsulfonyl-2-propan-2-yl-1,3-thiazole;(5-propan-2-yl-1,3-oxazol-4-yl)methanesulfinate;(2-propan-2-yl-3-pyridinyl)methanesulfinate;(2-propan-2-yl-3-pyridinyl)methanesulfonimidic acid;(4-propan-2-yl-1,3-thiazol-5-yl)methanesulfinate;(5-propan-2-yl-1,3-thiazol-4-yl)methanesulfinate;N-(2-propan-2-yl-1,3-thiazol-4-yl)methanesulfonamide;(4-propan-2-yl-1,3-thiazol-5-yl)methanesulfonimidic acid;(5-propan-2-yl-1,3-thiazol-4-yl)methanesulfonimidic acid
• PubChem CID: 157324498
• Molecular Formula: C132H204N24O22S19-4
• Molecular Weight: 3088.50 g/mol
• Exact Mass: 3085.03
• IUPAC Name: bis(2-methyl-4-propan-2-yl-1,3-oxazole);2-methyl-5-propan-2-yl-1,3-oxazole;bis(2-methyl-4-propan-2-ylpyrimidine);bis(2-methyl-4-propan-2-yl-1,3-thiazole);bis(5-methyl-2-propan-2-yl-1,3-thiazole);4-methylsulfonyl-2-propan-2-yl-1,3-thiazole;(5-propan-2-yl-1,3-oxazol-4-yl)methanesulfinate;(2-propan-2-yl-3-pyridinyl)methanesulfinate;(2-propan-2-yl-3-pyridinyl)methanesulfonimidic acid;(4-propan-2-yl-1,3-thiazol-5-yl)methanesulfinate;(5-propan-2-yl-1,3-thiazol-4-yl)methanesulfinate;N-(2-propan-2-yl-1,3-thiazol-4-yl)methanesulfonamide;(4-propan-2-yl-1,3-thiazol-5-yl)methanesulfonimidic acid;(5-propan-2-yl-1,3-thiazol-4-yl)methanesulfonimidic acid
• SMILES: CC(C)c1nc(NS(C)(=O)=O)cs1.CC(C)c1nc(S(C)(=O)=O)cs1.CC(C)c1ncccc1CS(=O)[O-].CC(C)c1ncsc1CS(=O)[O-].CC(C)c1ocnc1CS(=O)[O-].CC(C)c1scnc1CS(=O)[O-].Cc1cnc(C(C)C)s1.Cc1cnc(C(C)C)s1.Cc1nc(C(C)C)co1.Cc1nc(C(C)C)co1.Cc1nc(C(C)C)cs1.Cc1nc(C(C)C)cs1.Cc1ncc(C(C)C)o1.Cc1nccc(C(C)C)n1.Cc1nccc(C(C)C)n1.[H]N=S(=O)(O)Cc1cccnc1C(C)C.[H]N=S(=O)(O)Cc1ncsc1C(C)C.[H]N=S(=O)(O)Cc1scnc1C(C)C
• InChI: InChI=1S/C9H14N2O2S.C9H13NO2S.2C8H12N2.3C7H12N2O2S2.C7H11NO3S.3C7H11NO2S2.3C7H11NO.4C7H11NS/c1-7(2)9-8(4-3-5-11-9)6-14(10,12)13;1-7(2)9-8(6-13(11)12)4-3-5-10-9;2*1-6(2)8-4-5-9-7(3)10-8;1-5(2)7-8-6(4-12-7)9-13(3,10)11;1-5(2)7-6(12-4-9-7)3-13(8,10)11;1-5(2)7-6(9-4-12-7)3-13(8,10)11;1-5(2)7-6(3-12(9)10)8-4-11-7;1-5(2)7-8-6(4-11-7)12(3,9)10;1-5(2)7-6(3-12(9)10)11-4-8-7;1-5(2)7-6(3-12(9)10)8-4-11-7;2*1-5(2)7-4-9-6(3)8-7;1-5(2)7-4-8-6(3)9-7;2*1-5(2)7-4-9-6(3)8-7;2*1-5(2)7-8-4-6(3)9-7/h3-5,7H,6H2,1-2H3,(H2,10,12,13);3-5,7H,6H2,1-2H3,(H,11,12);2*4-6H,1-3H3;4-5,9H,1-3H3;2*4-5H,3H2,1-2H3,(H2,8,10,11);4-5H,3H2,1-2H3,(H,9,10);4-5H,1-3H3;2*4-5H,3H2,1-2H3,(H,9,10);7*4-5H,1-3H3/p-4
• InChIKey: FDYZESWMFHUKBY-UHFFFAOYSA-J
• XLogP: 36.59
• TPSA: 734.64 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 52
• Rotatable Bonds: 35
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3088.50
LogP ≤ 5	36.59
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(2-methyl-4-propan-2-yl-1,3-oxazole);2-methyl-5-propan-2-yl-1,3-oxazole;bis(2-methyl-4-propan-2-ylpyrimidine);bis(2-methyl-4-propan-2-yl-1,3-thiazole);bis(5-methyl-2-propan-2-yl-1,3-thiazole);4-methylsulfonyl-2-propan-2-yl-1,3-thiazole;(5-propan-2-yl-1,3-oxazol-4-yl)methanesulfinate;(2-propan-2-yl-3-pyridinyl)methanesulfinate;(2-propan-2-yl-3-pyridinyl)methanesulfonimidic acid;(4-propan-2-yl-1,3-thiazol-5-yl)methanesulfinate;(5-propan-2-yl-1,3-thiazol-4-yl)methanesulfinate;N-(2-propan-2-yl-1,3-thiazol-4-yl)methanesulfonamide;(4-propan-2-yl-1,3-thiazol-5-yl)methanesulfonimidic acid;(5-propan-2-yl-1,3-thiazol-4-yl)methanesulfonimidic acid?

The IUPAC name of bis(2-methyl-4-propan-2-yl-1,3-oxazole);2-methyl-5-propan-2-yl-1,3-oxazole;bis(2-methyl-4-propan-2-ylpyrimidine);bis(2-methyl-4-propan-2-yl-1,3-thiazole);bis(5-methyl-2-propan-2-yl-1,3-thiazole);4-methylsulfonyl-2-propan-2-yl-1,3-thiazole;(5-propan-2-yl-1,3-oxazol-4-yl)methanesulfinate;(2-propan-2-yl-3-pyridinyl)methanesulfinate;(2-propan-2-yl-3-pyridinyl)methanesulfonimidic acid;(4-propan-2-yl-1,3-thiazol-5-yl)methanesulfinate;(5-propan-2-yl-1,3-thiazol-4-yl)methanesulfinate;N-(2-propan-2-yl-1,3-thiazol-4-yl)methanesulfonamide;(4-propan-2-yl-1,3-thiazol-5-yl)methanesulfonimidic acid;(5-propan-2-yl-1,3-thiazol-4-yl)methanesulfonimidic acid (CID 157324498) is bis(2-methyl-4-propan-2-yl-1,3-oxazole);2-methyl-5-propan-2-yl-1,3-oxazole;bis(2-methyl-4-propan-2-ylpyrimidine);bis(2-methyl-4-propan-2-yl-1,3-thiazole);bis(5-methyl-2-propan-2-yl-1,3-thiazole);4-methylsulfonyl-2-propan-2-yl-1,3-thiazole;(5-propan-2-yl-1,3-oxazol-4-yl)methanesulfinate;(2-propan-2-yl-3-pyridinyl)methanesulfinate;(2-propan-2-yl-3-pyridinyl)methanesulfonimidic acid;(4-propan-2-yl-1,3-thiazol-5-yl)methanesulfinate;(5-propan-2-yl-1,3-thiazol-4-yl)methanesulfinate;N-(2-propan-2-yl-1,3-thiazol-4-yl)methanesulfonamide;(4-propan-2-yl-1,3-thiazol-5-yl)methanesulfonimidic acid;(5-propan-2-yl-1,3-thiazol-4-yl)methanesulfonimidic acid.

What is the SMILES notation for bis(2-methyl-4-propan-2-yl-1,3-oxazole);2-methyl-5-propan-2-yl-1,3-oxazole;bis(2-methyl-4-propan-2-ylpyrimidine);bis(2-methyl-4-propan-2-yl-1,3-thiazole);bis(5-methyl-2-propan-2-yl-1,3-thiazole);4-methylsulfonyl-2-propan-2-yl-1,3-thiazole;(5-propan-2-yl-1,3-oxazol-4-yl)methanesulfinate;(2-propan-2-yl-3-pyridinyl)methanesulfinate;(2-propan-2-yl-3-pyridinyl)methanesulfonimidic acid;(4-propan-2-yl-1,3-thiazol-5-yl)methanesulfinate;(5-propan-2-yl-1,3-thiazol-4-yl)methanesulfinate;N-(2-propan-2-yl-1,3-thiazol-4-yl)methanesulfonamide;(4-propan-2-yl-1,3-thiazol-5-yl)methanesulfonimidic acid;(5-propan-2-yl-1,3-thiazol-4-yl)methanesulfonimidic acid?

The canonical SMILES for bis(2-methyl-4-propan-2-yl-1,3-oxazole);2-methyl-5-propan-2-yl-1,3-oxazole;bis(2-methyl-4-propan-2-ylpyrimidine);bis(2-methyl-4-propan-2-yl-1,3-thiazole);bis(5-methyl-2-propan-2-yl-1,3-thiazole);4-methylsulfonyl-2-propan-2-yl-1,3-thiazole;(5-propan-2-yl-1,3-oxazol-4-yl)methanesulfinate;(2-propan-2-yl-3-pyridinyl)methanesulfinate;(2-propan-2-yl-3-pyridinyl)methanesulfonimidic acid;(4-propan-2-yl-1,3-thiazol-5-yl)methanesulfinate;(5-propan-2-yl-1,3-thiazol-4-yl)methanesulfinate;N-(2-propan-2-yl-1,3-thiazol-4-yl)methanesulfonamide;(4-propan-2-yl-1,3-thiazol-5-yl)methanesulfonimidic acid;(5-propan-2-yl-1,3-thiazol-4-yl)methanesulfonimidic acid is CC(C)c1nc(NS(C)(=O)=O)cs1.CC(C)c1nc(S(C)(=O)=O)cs1.CC(C)c1ncccc1CS(=O)[O-].CC(C)c1ncsc1CS(=O)[O-].CC(C)c1ocnc1CS(=O)[O-].CC(C)c1scnc1CS(=O)[O-].Cc1cnc(C(C)C)s1.Cc1cnc(C(C)C)s1.Cc1nc(C(C)C)co1.Cc1nc(C(C)C)co1.Cc1nc(C(C)C)cs1.Cc1nc(C(C)C)cs1.Cc1ncc(C(C)C)o1.Cc1nccc(C(C)C)n1.Cc1nccc(C(C)C)n1.[H]N=S(=O)(O)Cc1cccnc1C(C)C.[H]N=S(=O)(O)Cc1ncsc1C(C)C.[H]N=S(=O)(O)Cc1scnc1C(C)C.

What is the InChIKey of bis(2-methyl-4-propan-2-yl-1,3-oxazole);2-methyl-5-propan-2-yl-1,3-oxazole;bis(2-methyl-4-propan-2-ylpyrimidine);bis(2-methyl-4-propan-2-yl-1,3-thiazole);bis(5-methyl-2-propan-2-yl-1,3-thiazole);4-methylsulfonyl-2-propan-2-yl-1,3-thiazole;(5-propan-2-yl-1,3-oxazol-4-yl)methanesulfinate;(2-propan-2-yl-3-pyridinyl)methanesulfinate;(2-propan-2-yl-3-pyridinyl)methanesulfonimidic acid;(4-propan-2-yl-1,3-thiazol-5-yl)methanesulfinate;(5-propan-2-yl-1,3-thiazol-4-yl)methanesulfinate;N-(2-propan-2-yl-1,3-thiazol-4-yl)methanesulfonamide;(4-propan-2-yl-1,3-thiazol-5-yl)methanesulfonimidic acid;(5-propan-2-yl-1,3-thiazol-4-yl)methanesulfonimidic acid?

The InChIKey is FDYZESWMFHUKBY-UHFFFAOYSA-J. The full InChI is InChI=1S/C9H14N2O2S.C9H13NO2S.2C8H12N2.3C7H12N2O2S2.C7H11NO3S.3C7H11NO2S2.3C7H11NO.4C7H11NS/c1-7(2)9-8(4-3-5-11-9)6-14(10,12)13;1-7(2)9-8(6-13(11)12)4-3-5-10-9;2*1-6(2)8-4-5-9-7(3)10-8;1-5(2)7-8-6(4-12-7)9-13(3,10)11;1-5(2)7-6(12-4-9-7)3-13(8,10)11;1-5(2)7-6(9-4-12-7)3-13(8,10)11;1-5(2)7-6(3-12(9)10)8-4-11-7;1-5(2)7-8-6(4-11-7)12(3,9)10;1-5(2)7-6(3-12(9)10)11-4-8-7;1-5(2)7-6(3-12(9)10)8-4-11-7;2*1-5(2)7-4-9-6(3)8-7;1-5(2)7-4-8-6(3)9-7;2*1-5(2)7-4-9-6(3)8-7;2*1-5(2)7-8-4-6(3)9-7/h3-5,7H,6H2,1-2H3,(H2,10,12,13);3-5,7H,6H2,1-2H3,(H,11,12);2*4-6H,1-3H3;4-5,9H,1-3H3;2*4-5H,3H2,1-2H3,(H2,8,10,11);4-5H,3H2,1-2H3,(H,9,10);4-5H,1-3H3;2*4-5H,3H2,1-2H3,(H,9,10);7*4-5H,1-3H3/p-4.

What are the key properties of bis(2-methyl-4-propan-2-yl-1,3-oxazole);2-methyl-5-propan-2-yl-1,3-oxazole;bis(2-methyl-4-propan-2-ylpyrimidine);bis(2-methyl-4-propan-2-yl-1,3-thiazole);bis(5-methyl-2-propan-2-yl-1,3-thiazole);4-methylsulfonyl-2-propan-2-yl-1,3-thiazole;(5-propan-2-yl-1,3-oxazol-4-yl)methanesulfinate;(2-propan-2-yl-3-pyridinyl)methanesulfinate;(2-propan-2-yl-3-pyridinyl)methanesulfonimidic acid;(4-propan-2-yl-1,3-thiazol-5-yl)methanesulfinate;(5-propan-2-yl-1,3-thiazol-4-yl)methanesulfinate;N-(2-propan-2-yl-1,3-thiazol-4-yl)methanesulfonamide;(4-propan-2-yl-1,3-thiazol-5-yl)methanesulfonimidic acid;(5-propan-2-yl-1,3-thiazol-4-yl)methanesulfonimidic acid?

bis(2-methyl-4-propan-2-yl-1,3-oxazole);2-methyl-5-propan-2-yl-1,3-oxazole;bis(2-methyl-4-propan-2-ylpyrimidine);bis(2-methyl-4-propan-2-yl-1,3-thiazole);bis(5-methyl-2-propan-2-yl-1,3-thiazole);4-methylsulfonyl-2-propan-2-yl-1,3-thiazole;(5-propan-2-yl-1,3-oxazol-4-yl)methanesulfinate;(2-propan-2-yl-3-pyridinyl)methanesulfinate;(2-propan-2-yl-3-pyridinyl)methanesulfonimidic acid;(4-propan-2-yl-1,3-thiazol-5-yl)methanesulfinate;(5-propan-2-yl-1,3-thiazol-4-yl)methanesulfinate;N-(2-propan-2-yl-1,3-thiazol-4-yl)methanesulfonamide;(4-propan-2-yl-1,3-thiazol-5-yl)methanesulfonimidic acid;(5-propan-2-yl-1,3-thiazol-4-yl)methanesulfonimidic acid has a molecular weight of 3088.50 g/mol, XLogP of 36.59, 35 rotatable bonds, 7 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-methyl-4-propan-2-yl-1,3-oxazole);2-methyl-5-propan-2-yl-1,3-oxazole;bis(2-methyl-4-propan-2-ylpyrimidine);bis(2-methyl-4-propan-2-yl-1,3-thiazole);bis(5-methyl-2-propan-2-yl-1,3-thiazole);4-methylsulfonyl-2-propan-2-yl-1,3-thiazole;(5-propan-2-yl-1,3-oxazol-4-yl)methanesulfinate;(2-propan-2-yl-3-pyridinyl)methanesulfinate;(2-propan-2-yl-3-pyridinyl)methanesulfonimidic acid;(4-propan-2-yl-1,3-thiazol-5-yl)methanesulfinate;(5-propan-2-yl-1,3-thiazol-4-yl)methanesulfinate;N-(2-propan-2-yl-1,3-thiazol-4-yl)methanesulfonamide;(4-propan-2-yl-1,3-thiazol-5-yl)methanesulfonimidic acid;(5-propan-2-yl-1,3-thiazol-4-yl)methanesulfonimidic acid is sourced from PubChem (CID 157324498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).