bis(N,2-dimethylpropanamide);5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole;3-methyl-5-propan-2-ylpyran-4-one;3-methyl-4-propan-2-yl-1,2,5-thiadiazole;3-methyl-5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1H-1,2,4-triazole

C43H74N10O5S2 — CID 157361561

About bis(N,2-dimethylpropanamide);5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole;3-methyl-5-propan-2-ylpyran-4-one;3-methyl-4-propan-2-yl-1,2,5-thiadiazole;3-methyl-5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1H-1,2,4-triazole

bis(N,2-dimethylpropanamide);5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole;3-methyl-5-propan-2-ylpyran-4-one;3-methyl-4-propan-2-yl-1,2,5-thiadiazole;3-methyl-5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1H-1,2,4-triazole (PubChem CID 157361561) has the molecular formula C43H74N10O5S2 and a molecular weight of 875.26 g/mol. Its IUPAC name is bis(N,2-dimethylpropanamide);5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole;3-methyl-5-propan-2-ylpyran-4-one;3-methyl-4-propan-2-yl-1,2,5-thiadiazole;3-methyl-5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1H-1,2,4-triazole.

Molecular Properties

• Compound Name: bis(N,2-dimethylpropanamide);5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole;3-methyl-5-propan-2-ylpyran-4-one;3-methyl-4-propan-2-yl-1,2,5-thiadiazole;3-methyl-5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1H-1,2,4-triazole
• PubChem CID: 157361561
• Molecular Formula: C43H74N10O5S2
• Molecular Weight: 875.26 g/mol
• Exact Mass: 874.53
• IUPAC Name: bis(N,2-dimethylpropanamide);5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole;3-methyl-5-propan-2-ylpyran-4-one;3-methyl-4-propan-2-yl-1,2,5-thiadiazole;3-methyl-5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1H-1,2,4-triazole
• SMILES: C=C1N=C(C(C)C)NO1.CC(C)c1ncn[nH]1.CNC(=O)C(C)C.CNC(=O)C(C)C.Cc1cc(C(C)C)sn1.Cc1cocc(C(C)C)c1=O.Cc1nsnc1C(C)C
• InChI: InChI=1S/C9H12O2.C7H11NS.C6H10N2O.C6H10N2S.C5H9N3.2C5H11NO/c1-6(2)8-5-11-4-7(3)9(8)10;1-5(2)7-4-6(3)8-9-7;1-4(2)6-7-5(3)9-8-6;1-4(2)6-5(3)7-9-8-6;1-4(2)5-6-3-7-8-5;2*1-4(2)5(7)6-3/h4-6H,1-3H3;4-5H,1-3H3;4H,3H2,1-2H3,(H,7,8);4H,1-3H3;3-4H,1-2H3,(H,6,7,8);2*4H,1-3H3,(H,6,7)
• InChIKey: BIRVSGULONKJDM-UHFFFAOYSA-N
• XLogP: 9.37
• TPSA: 202.27 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	875.26
LogP ≤ 5	9.37
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of bis(N,2-dimethylpropanamide);5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole;3-methyl-5-propan-2-ylpyran-4-one;3-methyl-4-propan-2-yl-1,2,5-thiadiazole;3-methyl-5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1H-1,2,4-triazole?

The IUPAC name of bis(N,2-dimethylpropanamide);5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole;3-methyl-5-propan-2-ylpyran-4-one;3-methyl-4-propan-2-yl-1,2,5-thiadiazole;3-methyl-5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1H-1,2,4-triazole (CID 157361561) is bis(N,2-dimethylpropanamide);5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole;3-methyl-5-propan-2-ylpyran-4-one;3-methyl-4-propan-2-yl-1,2,5-thiadiazole;3-methyl-5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1H-1,2,4-triazole.

What is the SMILES notation for bis(N,2-dimethylpropanamide);5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole;3-methyl-5-propan-2-ylpyran-4-one;3-methyl-4-propan-2-yl-1,2,5-thiadiazole;3-methyl-5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1H-1,2,4-triazole?

The canonical SMILES for bis(N,2-dimethylpropanamide);5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole;3-methyl-5-propan-2-ylpyran-4-one;3-methyl-4-propan-2-yl-1,2,5-thiadiazole;3-methyl-5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1H-1,2,4-triazole is C=C1N=C(C(C)C)NO1.CC(C)c1ncn[nH]1.CNC(=O)C(C)C.CNC(=O)C(C)C.Cc1cc(C(C)C)sn1.Cc1cocc(C(C)C)c1=O.Cc1nsnc1C(C)C.

What is the InChIKey of bis(N,2-dimethylpropanamide);5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole;3-methyl-5-propan-2-ylpyran-4-one;3-methyl-4-propan-2-yl-1,2,5-thiadiazole;3-methyl-5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1H-1,2,4-triazole?

The InChIKey is BIRVSGULONKJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2.C7H11NS.C6H10N2O.C6H10N2S.C5H9N3.2C5H11NO/c1-6(2)8-5-11-4-7(3)9(8)10;1-5(2)7-4-6(3)8-9-7;1-4(2)6-7-5(3)9-8-6;1-4(2)6-5(3)7-9-8-6;1-4(2)5-6-3-7-8-5;2*1-4(2)5(7)6-3/h4-6H,1-3H3;4-5H,1-3H3;4H,3H2,1-2H3,(H,7,8);4H,1-3H3;3-4H,1-2H3,(H,6,7,8);2*4H,1-3H3,(H,6,7).

What are the key properties of bis(N,2-dimethylpropanamide);5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole;3-methyl-5-propan-2-ylpyran-4-one;3-methyl-4-propan-2-yl-1,2,5-thiadiazole;3-methyl-5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1H-1,2,4-triazole?

bis(N,2-dimethylpropanamide);5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole;3-methyl-5-propan-2-ylpyran-4-one;3-methyl-4-propan-2-yl-1,2,5-thiadiazole;3-methyl-5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1H-1,2,4-triazole has a molecular weight of 875.26 g/mol, XLogP of 9.37, 7 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N,2-dimethylpropanamide);5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole;3-methyl-5-propan-2-ylpyran-4-one;3-methyl-4-propan-2-yl-1,2,5-thiadiazole;3-methyl-5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1H-1,2,4-triazole is sourced from PubChem (CID 157361561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).