ethane;1H-imidazole;henicosakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;bis(2H-tetrazole);thiadiazole;bis(1,3,4-thiadiazole);thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);2H-triazole

C168H385N49O7S7 — CID 158371257

About ethane;1H-imidazole;henicosakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;bis(2H-tetrazole);thiadiazole;bis(1,3,4-thiadiazole);thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);2H-triazole

ethane;1H-imidazole;henicosakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;bis(2H-tetrazole);thiadiazole;bis(1,3,4-thiadiazole);thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);2H-triazole (PubChem CID 158371257) has the molecular formula C168H385N49O7S7 and a molecular weight of 3428.73 g/mol. Its IUPAC name is ethane;1H-imidazole;henicosakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;bis(2H-tetrazole);thiadiazole;bis(1,3,4-thiadiazole);thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);2H-triazole.

Molecular Properties

• Compound Name: ethane;1H-imidazole;henicosakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;bis(2H-tetrazole);thiadiazole;bis(1,3,4-thiadiazole);thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);2H-triazole
• PubChem CID: 158371257
• Molecular Formula: C168H385N49O7S7
• Molecular Weight: 3428.73 g/mol
• Exact Mass: 3425.93
• IUPAC Name: ethane;1H-imidazole;henicosakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;bis(2H-tetrazole);thiadiazole;bis(1,3,4-thiadiazole);thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);2H-triazole
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1c[nH]cn1.c1cn[nH]c1.c1cn[nH]n1.c1cnoc1.c1cnsc1.c1cocn1.c1conn1.c1cscn1.c1csnn1.c1nc[nH]n1.c1nc[nH]n1.c1ncon1.c1nn[nH]n1.c1nn[nH]n1.c1nnco1.c1nncs1.c1nncs1.c1nnno1.c1nnns1.c1nnon1.c1nnsn1
• InChI: InChI=1S/21C4H10.2C3H4N2.2C3H3NO.2C3H3NS.3C2H3N3.3C2H2N2O.3C2H2N2S.21C2H6.2CH2N4.2CHN3O.2CHN3S/c21*1-4(2)3;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;2*1-3-2-5-4-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-5-4-3-1;2*1-3-4-2-5-1;1-2-5-4-3-1;21*1-2;2*1-2-4-5-3-1;1-2-3-4-5-1;1-2-4-5-3-1;1-2-3-4-5-1;1-2-4-5-3-1/h21*4H,1-3H3;2*1-3H,(H,4,5);4*1-3H;3*1-2H,(H,3,4,5);6*1-2H;21*1-2H3;2*1H,(H,2,3,4,5);4*1H
• InChIKey: GUQGSQSNDBNPQU-UHFFFAOYSA-N
• XLogP: 59.35
• TPSA: 743.89 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 56
• Heavy Atoms: 231
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3428.73
LogP ≤ 5	59.35
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	56

Frequently Asked Questions

What is the IUPAC name of ethane;1H-imidazole;henicosakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;bis(2H-tetrazole);thiadiazole;bis(1,3,4-thiadiazole);thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);2H-triazole?

The IUPAC name of ethane;1H-imidazole;henicosakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;bis(2H-tetrazole);thiadiazole;bis(1,3,4-thiadiazole);thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);2H-triazole (CID 158371257) is ethane;1H-imidazole;henicosakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;bis(2H-tetrazole);thiadiazole;bis(1,3,4-thiadiazole);thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);2H-triazole.

What is the SMILES notation for ethane;1H-imidazole;henicosakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;bis(2H-tetrazole);thiadiazole;bis(1,3,4-thiadiazole);thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);2H-triazole?

The canonical SMILES for ethane;1H-imidazole;henicosakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;bis(2H-tetrazole);thiadiazole;bis(1,3,4-thiadiazole);thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);2H-triazole is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1c[nH]cn1.c1cn[nH]c1.c1cn[nH]n1.c1cnoc1.c1cnsc1.c1cocn1.c1conn1.c1cscn1.c1csnn1.c1nc[nH]n1.c1nc[nH]n1.c1ncon1.c1nn[nH]n1.c1nn[nH]n1.c1nnco1.c1nncs1.c1nncs1.c1nnno1.c1nnns1.c1nnon1.c1nnsn1.

What is the InChIKey of ethane;1H-imidazole;henicosakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;bis(2H-tetrazole);thiadiazole;bis(1,3,4-thiadiazole);thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);2H-triazole?

The InChIKey is GUQGSQSNDBNPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/21C4H10.2C3H4N2.2C3H3NO.2C3H3NS.3C2H3N3.3C2H2N2O.3C2H2N2S.21C2H6.2CH2N4.2CHN3O.2CHN3S/c21*1-4(2)3;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;2*1-3-2-5-4-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-5-4-3-1;2*1-3-4-2-5-1;1-2-5-4-3-1;21*1-2;2*1-2-4-5-3-1;1-2-3-4-5-1;1-2-4-5-3-1;1-2-3-4-5-1;1-2-4-5-3-1/h21*4H,1-3H3;2*1-3H,(H,4,5);4*1-3H;3*1-2H,(H,3,4,5);6*1-2H;21*1-2H3;2*1H,(H,2,3,4,5);4*1H.

What are the key properties of ethane;1H-imidazole;henicosakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;bis(2H-tetrazole);thiadiazole;bis(1,3,4-thiadiazole);thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);2H-triazole?

ethane;1H-imidazole;henicosakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;bis(2H-tetrazole);thiadiazole;bis(1,3,4-thiadiazole);thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);2H-triazole has a molecular weight of 3428.73 g/mol, XLogP of 59.35, 0 rotatable bonds, 7 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;1H-imidazole;henicosakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;bis(2H-tetrazole);thiadiazole;bis(1,3,4-thiadiazole);thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);2H-triazole is sourced from PubChem (CID 158371257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).