2,5-dihydro-1,2,4-thiadiazole 1,1-dioxide;2,5-dihydro-1,2-thiazole 1,1-dioxide;methane;2-methylidene-1,3-dihydroimidazole;bis(2-methyl-1,3,4-oxadiazole);3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;bis(3-methyl-1,2-oxazole);5-methyl-1H-pyrazole;3-methyl-1,2,4-thiadiazole;2-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole;3H-oxathiadiazole 2,2-dioxide;3H-1,3,4-thiadiazol-2-one;1H-1,2,4-triazole

C51H77N29O14S6 — CID 158279050

About 2,5-dihydro-1,2,4-thiadiazole 1,1-dioxide;2,5-dihydro-1,2-thiazole 1,1-dioxide;methane;2-methylidene-1,3-dihydroimidazole;bis(2-methyl-1,3,4-oxadiazole);3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;bis(3-methyl-1,2-oxazole);5-methyl-1H-pyrazole;3-methyl-1,2,4-thiadiazole;2-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole;3H-oxathiadiazole 2,2-dioxide;3H-1,3,4-thiadiazol-2-one;1H-1,2,4-triazole

2,5-dihydro-1,2,4-thiadiazole 1,1-dioxide;2,5-dihydro-1,2-thiazole 1,1-dioxide;methane;2-methylidene-1,3-dihydroimidazole;bis(2-methyl-1,3,4-oxadiazole);3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;bis(3-methyl-1,2-oxazole);5-methyl-1H-pyrazole;3-methyl-1,2,4-thiadiazole;2-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole;3H-oxathiadiazole 2,2-dioxide;3H-1,3,4-thiadiazol-2-one;1H-1,2,4-triazole (PubChem CID 158279050) has the molecular formula C51H77N29O14S6 and a molecular weight of 1512.77 g/mol. Its IUPAC name is 2,5-dihydro-1,2,4-thiadiazole 1,1-dioxide;2,5-dihydro-1,2-thiazole 1,1-dioxide;methane;2-methylidene-1,3-dihydroimidazole;bis(2-methyl-1,3,4-oxadiazole);3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;bis(3-methyl-1,2-oxazole);5-methyl-1H-pyrazole;3-methyl-1,2,4-thiadiazole;2-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole;3H-oxathiadiazole 2,2-dioxide;3H-1,3,4-thiadiazol-2-one;1H-1,2,4-triazole.

Molecular Properties

• Compound Name: 2,5-dihydro-1,2,4-thiadiazole 1,1-dioxide;2,5-dihydro-1,2-thiazole 1,1-dioxide;methane;2-methylidene-1,3-dihydroimidazole;bis(2-methyl-1,3,4-oxadiazole);3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;bis(3-methyl-1,2-oxazole);5-methyl-1H-pyrazole;3-methyl-1,2,4-thiadiazole;2-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole;3H-oxathiadiazole 2,2-dioxide;3H-1,3,4-thiadiazol-2-one;1H-1,2,4-triazole
• PubChem CID: 158279050
• Molecular Formula: C51H77N29O14S6
• Molecular Weight: 1512.77 g/mol
• Exact Mass: 1511.45
• IUPAC Name: 2,5-dihydro-1,2,4-thiadiazole 1,1-dioxide;2,5-dihydro-1,2-thiazole 1,1-dioxide;methane;2-methylidene-1,3-dihydroimidazole;bis(2-methyl-1,3,4-oxadiazole);3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;bis(3-methyl-1,2-oxazole);5-methyl-1H-pyrazole;3-methyl-1,2,4-thiadiazole;2-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole;3H-oxathiadiazole 2,2-dioxide;3H-1,3,4-thiadiazol-2-one;1H-1,2,4-triazole
• SMILES: C.C.C=C1NC=CN1.Cc1ccn[nH]1.Cc1ccon1.Cc1ccon1.Cc1ncco1.Cc1nccs1.Cc1ncn[nH]1.Cc1ncon1.Cc1ncsn1.Cc1nnco1.Cc1nnco1.O=S1(=O)CC=CN1.O=S1(=O)CN=CN1.O=S1(=O)NN=CO1.O=c1[nH]ncs1.c1nc[nH]n1
• InChI: InChI=1S/2C4H6N2.3C4H5NO.C4H5NS.C3H5N3.3C3H4N2O.C3H4N2S.C3H5NO2S.C2H3N3.C2H4N2O2S.C2H2N2OS.CH2N2O3S.2CH4/c1-4-5-2-3-6-4;1-4-2-3-5-6-4;1-4-5-2-3-6-4;2*1-4-2-3-6-5-4;1-4-5-2-3-6-4;1-3-4-2-5-6-3;2*1-3-5-4-2-6-3;2*1-3-4-2-6-5-3;5-7(6)3-1-2-4-7;1-3-2-5-4-1;5-7(6)2-3-1-4-7;5-2-4-3-1-6-2;4-7(5)3-2-1-6-7;;/h2-3,5-6H,1H2;2-3H,1H3,(H,5,6);4*2-3H,1H3;2H,1H3,(H,4,5,6);4*2H,1H3;1-2,4H,3H2;1-2H,(H,3,4,5);1H,2H2,(H,3,4);1H,(H,4,5);1,3H;2*1H4
• InChIKey: GJZDAZVAPXUZJB-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 587.61 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 39
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1512.77
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydro-1,2,4-thiadiazole 1,1-dioxide;2,5-dihydro-1,2-thiazole 1,1-dioxide;methane;2-methylidene-1,3-dihydroimidazole;bis(2-methyl-1,3,4-oxadiazole);3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;bis(3-methyl-1,2-oxazole);5-methyl-1H-pyrazole;3-methyl-1,2,4-thiadiazole;2-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole;3H-oxathiadiazole 2,2-dioxide;3H-1,3,4-thiadiazol-2-one;1H-1,2,4-triazole?

The IUPAC name of 2,5-dihydro-1,2,4-thiadiazole 1,1-dioxide;2,5-dihydro-1,2-thiazole 1,1-dioxide;methane;2-methylidene-1,3-dihydroimidazole;bis(2-methyl-1,3,4-oxadiazole);3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;bis(3-methyl-1,2-oxazole);5-methyl-1H-pyrazole;3-methyl-1,2,4-thiadiazole;2-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole;3H-oxathiadiazole 2,2-dioxide;3H-1,3,4-thiadiazol-2-one;1H-1,2,4-triazole (CID 158279050) is 2,5-dihydro-1,2,4-thiadiazole 1,1-dioxide;2,5-dihydro-1,2-thiazole 1,1-dioxide;methane;2-methylidene-1,3-dihydroimidazole;bis(2-methyl-1,3,4-oxadiazole);3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;bis(3-methyl-1,2-oxazole);5-methyl-1H-pyrazole;3-methyl-1,2,4-thiadiazole;2-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole;3H-oxathiadiazole 2,2-dioxide;3H-1,3,4-thiadiazol-2-one;1H-1,2,4-triazole.

What is the SMILES notation for 2,5-dihydro-1,2,4-thiadiazole 1,1-dioxide;2,5-dihydro-1,2-thiazole 1,1-dioxide;methane;2-methylidene-1,3-dihydroimidazole;bis(2-methyl-1,3,4-oxadiazole);3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;bis(3-methyl-1,2-oxazole);5-methyl-1H-pyrazole;3-methyl-1,2,4-thiadiazole;2-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole;3H-oxathiadiazole 2,2-dioxide;3H-1,3,4-thiadiazol-2-one;1H-1,2,4-triazole?

The canonical SMILES for 2,5-dihydro-1,2,4-thiadiazole 1,1-dioxide;2,5-dihydro-1,2-thiazole 1,1-dioxide;methane;2-methylidene-1,3-dihydroimidazole;bis(2-methyl-1,3,4-oxadiazole);3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;bis(3-methyl-1,2-oxazole);5-methyl-1H-pyrazole;3-methyl-1,2,4-thiadiazole;2-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole;3H-oxathiadiazole 2,2-dioxide;3H-1,3,4-thiadiazol-2-one;1H-1,2,4-triazole is C.C.C=C1NC=CN1.Cc1ccn[nH]1.Cc1ccon1.Cc1ccon1.Cc1ncco1.Cc1nccs1.Cc1ncn[nH]1.Cc1ncon1.Cc1ncsn1.Cc1nnco1.Cc1nnco1.O=S1(=O)CC=CN1.O=S1(=O)CN=CN1.O=S1(=O)NN=CO1.O=c1[nH]ncs1.c1nc[nH]n1.

What is the InChIKey of 2,5-dihydro-1,2,4-thiadiazole 1,1-dioxide;2,5-dihydro-1,2-thiazole 1,1-dioxide;methane;2-methylidene-1,3-dihydroimidazole;bis(2-methyl-1,3,4-oxadiazole);3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;bis(3-methyl-1,2-oxazole);5-methyl-1H-pyrazole;3-methyl-1,2,4-thiadiazole;2-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole;3H-oxathiadiazole 2,2-dioxide;3H-1,3,4-thiadiazol-2-one;1H-1,2,4-triazole?

The InChIKey is GJZDAZVAPXUZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H6N2.3C4H5NO.C4H5NS.C3H5N3.3C3H4N2O.C3H4N2S.C3H5NO2S.C2H3N3.C2H4N2O2S.C2H2N2OS.CH2N2O3S.2CH4/c1-4-5-2-3-6-4;1-4-2-3-5-6-4;1-4-5-2-3-6-4;2*1-4-2-3-6-5-4;1-4-5-2-3-6-4;1-3-4-2-5-6-3;2*1-3-5-4-2-6-3;2*1-3-4-2-6-5-3;5-7(6)3-1-2-4-7;1-3-2-5-4-1;5-7(6)2-3-1-4-7;5-2-4-3-1-6-2;4-7(5)3-2-1-6-7;;/h2-3,5-6H,1H2;2-3H,1H3,(H,5,6);4*2-3H,1H3;2H,1H3,(H,4,5,6);4*2H,1H3;1-2,4H,3H2;1-2H,(H,3,4,5);1H,2H2,(H,3,4);1H,(H,4,5);1,3H;2*1H4.

What are the key properties of 2,5-dihydro-1,2,4-thiadiazole 1,1-dioxide;2,5-dihydro-1,2-thiazole 1,1-dioxide;methane;2-methylidene-1,3-dihydroimidazole;bis(2-methyl-1,3,4-oxadiazole);3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;bis(3-methyl-1,2-oxazole);5-methyl-1H-pyrazole;3-methyl-1,2,4-thiadiazole;2-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole;3H-oxathiadiazole 2,2-dioxide;3H-1,3,4-thiadiazol-2-one;1H-1,2,4-triazole?

2,5-dihydro-1,2,4-thiadiazole 1,1-dioxide;2,5-dihydro-1,2-thiazole 1,1-dioxide;methane;2-methylidene-1,3-dihydroimidazole;bis(2-methyl-1,3,4-oxadiazole);3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;bis(3-methyl-1,2-oxazole);5-methyl-1H-pyrazole;3-methyl-1,2,4-thiadiazole;2-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole;3H-oxathiadiazole 2,2-dioxide;3H-1,3,4-thiadiazol-2-one;1H-1,2,4-triazole has a molecular weight of 1512.77 g/mol, XLogP of 5.37, 0 rotatable bonds, 9 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dihydro-1,2,4-thiadiazole 1,1-dioxide;2,5-dihydro-1,2-thiazole 1,1-dioxide;methane;2-methylidene-1,3-dihydroimidazole;bis(2-methyl-1,3,4-oxadiazole);3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;bis(3-methyl-1,2-oxazole);5-methyl-1H-pyrazole;3-methyl-1,2,4-thiadiazole;2-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole;3H-oxathiadiazole 2,2-dioxide;3H-1,3,4-thiadiazol-2-one;1H-1,2,4-triazole is sourced from PubChem (CID 158279050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).