1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;ethane;furan;1H-imidazole;1H-indole;2-methyl-1,3,5-triazine;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine

C118H194N34O5S4 — CID 162273569

About 1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;ethane;furan;1H-imidazole;1H-indole;2-methyl-1,3,5-triazine;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine

1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;ethane;furan;1H-imidazole;1H-indole;2-methyl-1,3,5-triazine;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine (PubChem CID 162273569) has the molecular formula C118H194N34O5S4 and a molecular weight of 2297.35 g/mol. Its IUPAC name is 1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;ethane;furan;1H-imidazole;1H-indole;2-methyl-1,3,5-triazine;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine.

Molecular Properties

• Compound Name: 1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;ethane;furan;1H-imidazole;1H-indole;2-methyl-1,3,5-triazine;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine
• PubChem CID: 162273569
• Molecular Formula: C118H194N34O5S4
• Molecular Weight: 2297.35 g/mol
• Exact Mass: 2295.49
• IUPAC Name: 1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;ethane;furan;1H-imidazole;1H-indole;2-methyl-1,3,5-triazine;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ncncn1.Cn1cnnc1.c1c[nH]cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2ocnc2c1.c1ccc2scnc2c1.c1ccncc1.c1ccoc1.c1ccsc1.c1cnccn1.c1cncnc1.c1cnncn1.c1cocn1.c1cscn1.c1ncon1.c1nn[nH]n1.c1nnco1.c1nncs1
• InChI: InChI=1S/C8H7N.C7H6N2.C7H5NO.C7H5NS.C5H5N.C4H5N3.2C4H4N2.C4H5N.C4H4O.C4H4S.C3H5N3.C3H3N3.C3H4N2.C3H3NO.C3H3NS.2C2H2N2O.C2H2N2S.19C2H6.CH2N4/c1-2-4-8-7(3-1)5-6-9-8;3*1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5-3-1;1-4-6-2-5-3-7-4;1-2-6-4-3-5-1;1-2-5-4-6-3-1;3*1-2-4-5-3-1;1-6-2-4-5-3-6;1-2-5-6-3-4-1;3*1-2-5-3-4-1;1-3-4-2-5-1;1-3-2-5-4-1;1-3-4-2-5-1;19*1-2;1-2-4-5-3-1/h1-6,9H;1-5H,(H,8,9);2*1-5H;1-5H;2-3H,1H3;2*1-4H;1-5H;2*1-4H;2-3H,1H3;1-3H;1-3H,(H,4,5);2*1-3H;3*1-2H;19*1-2H3;1H,(H,2,3,4,5)
• InChIKey: QQYICVWYLNPRCS-UHFFFAOYSA-N
• XLogP: 35.40
• TPSA: 510.50 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 38
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2297.35
LogP ≤ 5	35.40
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;ethane;furan;1H-imidazole;1H-indole;2-methyl-1,3,5-triazine;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine?

The IUPAC name of 1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;ethane;furan;1H-imidazole;1H-indole;2-methyl-1,3,5-triazine;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine (CID 162273569) is 1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;ethane;furan;1H-imidazole;1H-indole;2-methyl-1,3,5-triazine;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine.

What is the SMILES notation for 1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;ethane;furan;1H-imidazole;1H-indole;2-methyl-1,3,5-triazine;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine?

The canonical SMILES for 1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;ethane;furan;1H-imidazole;1H-indole;2-methyl-1,3,5-triazine;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ncncn1.Cn1cnnc1.c1c[nH]cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2ocnc2c1.c1ccc2scnc2c1.c1ccncc1.c1ccoc1.c1ccsc1.c1cnccn1.c1cncnc1.c1cnncn1.c1cocn1.c1cscn1.c1ncon1.c1nn[nH]n1.c1nnco1.c1nncs1.

What is the InChIKey of 1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;ethane;furan;1H-imidazole;1H-indole;2-methyl-1,3,5-triazine;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine?

The InChIKey is QQYICVWYLNPRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.C7H6N2.C7H5NO.C7H5NS.C5H5N.C4H5N3.2C4H4N2.C4H5N.C4H4O.C4H4S.C3H5N3.C3H3N3.C3H4N2.C3H3NO.C3H3NS.2C2H2N2O.C2H2N2S.19C2H6.CH2N4/c1-2-4-8-7(3-1)5-6-9-8;3*1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5-3-1;1-4-6-2-5-3-7-4;1-2-6-4-3-5-1;1-2-5-4-6-3-1;3*1-2-4-5-3-1;1-6-2-4-5-3-6;1-2-5-6-3-4-1;3*1-2-5-3-4-1;1-3-4-2-5-1;1-3-2-5-4-1;1-3-4-2-5-1;19*1-2;1-2-4-5-3-1/h1-6,9H;1-5H,(H,8,9);2*1-5H;1-5H;2-3H,1H3;2*1-4H;1-5H;2*1-4H;2-3H,1H3;1-3H;1-3H,(H,4,5);2*1-3H;3*1-2H;19*1-2H3;1H,(H,2,3,4,5).

What are the key properties of 1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;ethane;furan;1H-imidazole;1H-indole;2-methyl-1,3,5-triazine;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine?

1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;ethane;furan;1H-imidazole;1H-indole;2-methyl-1,3,5-triazine;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine has a molecular weight of 2297.35 g/mol, XLogP of 35.40, 0 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;ethane;furan;1H-imidazole;1H-indole;2-methyl-1,3,5-triazine;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine is sourced from PubChem (CID 162273569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).