2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1H-1,2,4-triazole;methane;2,4,5-trimethyl-1H-imidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole

C29H53N9OS2 — CID 159817633

About 2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1H-1,2,4-triazole;methane;2,4,5-trimethyl-1H-imidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole

2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1H-1,2,4-triazole;methane;2,4,5-trimethyl-1H-imidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole (PubChem CID 159817633) has the molecular formula C29H53N9OS2 and a molecular weight of 607.94 g/mol. Its IUPAC name is 2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1H-1,2,4-triazole;methane;2,4,5-trimethyl-1H-imidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole.

Molecular Properties

• Compound Name: 2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1H-1,2,4-triazole;methane;2,4,5-trimethyl-1H-imidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole
• PubChem CID: 159817633
• Molecular Formula: C29H53N9OS2
• Molecular Weight: 607.94 g/mol
• Exact Mass: 607.38
• IUPAC Name: 2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1H-1,2,4-triazole;methane;2,4,5-trimethyl-1H-imidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole
• SMILES: C.C.C.Cc1n[nH]c(C)n1.Cc1nc(C)c(C)[nH]1.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nnc(C)s1
• InChI: InChI=1S/C6H10N2.C6H9NO.C6H9NS.C4H7N3.C4H6N2S.3CH4/c3*1-4-5(2)8-6(3)7-4;1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3;;;/h1-3H3,(H,7,8);2*1-3H3;1-2H3,(H,5,6,7);1-2H3;3*1H4
• InChIKey: NLUXEVUAOGFISU-UHFFFAOYSA-N
• XLogP: 8.49
• TPSA: 134.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	607.94
LogP ≤ 5	8.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1H-1,2,4-triazole;methane;2,4,5-trimethyl-1H-imidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole?

The IUPAC name of 2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1H-1,2,4-triazole;methane;2,4,5-trimethyl-1H-imidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole (CID 159817633) is 2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1H-1,2,4-triazole;methane;2,4,5-trimethyl-1H-imidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole.

What is the SMILES notation for 2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1H-1,2,4-triazole;methane;2,4,5-trimethyl-1H-imidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole?

The canonical SMILES for 2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1H-1,2,4-triazole;methane;2,4,5-trimethyl-1H-imidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole is C.C.C.Cc1n[nH]c(C)n1.Cc1nc(C)c(C)[nH]1.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nnc(C)s1.

What is the InChIKey of 2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1H-1,2,4-triazole;methane;2,4,5-trimethyl-1H-imidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole?

The InChIKey is NLUXEVUAOGFISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.C6H9NO.C6H9NS.C4H7N3.C4H6N2S.3CH4/c3*1-4-5(2)8-6(3)7-4;1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3;;;/h1-3H3,(H,7,8);2*1-3H3;1-2H3,(H,5,6,7);1-2H3;3*1H4.

What are the key properties of 2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1H-1,2,4-triazole;methane;2,4,5-trimethyl-1H-imidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole?

2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1H-1,2,4-triazole;methane;2,4,5-trimethyl-1H-imidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole has a molecular weight of 607.94 g/mol, XLogP of 8.49, 0 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1H-1,2,4-triazole;methane;2,4,5-trimethyl-1H-imidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole is sourced from PubChem (CID 159817633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).