furan;1H-imidazole;oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,2-thiazole;1,3-thiazole;thiophene

C45H49N21O4S3 — CID 158609169

About furan;1H-imidazole;oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,2-thiazole;1,3-thiazole;thiophene

furan;1H-imidazole;oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,2-thiazole;1,3-thiazole;thiophene (PubChem CID 158609169) has the molecular formula C45H49N21O4S3 and a molecular weight of 1044.23 g/mol. Its IUPAC name is furan;1H-imidazole;oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,2-thiazole;1,3-thiazole;thiophene.

Molecular Properties

• Compound Name: furan;1H-imidazole;oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,2-thiazole;1,3-thiazole;thiophene
• PubChem CID: 158609169
• Molecular Formula: C45H49N21O4S3
• Molecular Weight: 1044.23 g/mol
• Exact Mass: 1043.34
• IUPAC Name: furan;1H-imidazole;oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,2-thiazole;1,3-thiazole;thiophene
• SMILES: c1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cncnc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1nn[nH]n1.c1nnno1
• InChI: InChI=1S/C5H5N.2C4H4N2.C4H5N.C4H4O.C4H4S.2C3H4N2.2C3H3NO.2C3H3NS.CH2N4.CHN3O/c1-2-4-6-5-3-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;3*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;1-2-5-3-4-1;2*1-2-4-5-3-1;1-2-3-4-5-1/h1-5H;2*1-4H;1-5H;2*1-4H;2*1-3H,(H,4,5);4*1-3H;1H,(H,2,3,4,5);1H
• InChIKey: HWPPCDHODLNKRD-UHFFFAOYSA-N
• XLogP: 9.20
• TPSA: 334.85 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1044.23
LogP ≤ 5	9.20
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of furan;1H-imidazole;oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,2-thiazole;1,3-thiazole;thiophene?

The IUPAC name of furan;1H-imidazole;oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,2-thiazole;1,3-thiazole;thiophene (CID 158609169) is furan;1H-imidazole;oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,2-thiazole;1,3-thiazole;thiophene.

What is the SMILES notation for furan;1H-imidazole;oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,2-thiazole;1,3-thiazole;thiophene?

The canonical SMILES for furan;1H-imidazole;oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,2-thiazole;1,3-thiazole;thiophene is c1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cncnc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1nn[nH]n1.c1nnno1.

What is the InChIKey of furan;1H-imidazole;oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,2-thiazole;1,3-thiazole;thiophene?

The InChIKey is HWPPCDHODLNKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.2C4H4N2.C4H5N.C4H4O.C4H4S.2C3H4N2.2C3H3NO.2C3H3NS.CH2N4.CHN3O/c1-2-4-6-5-3-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;3*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;1-2-5-3-4-1;2*1-2-4-5-3-1;1-2-3-4-5-1/h1-5H;2*1-4H;1-5H;2*1-4H;2*1-3H,(H,4,5);4*1-3H;1H,(H,2,3,4,5);1H.

What are the key properties of furan;1H-imidazole;oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,2-thiazole;1,3-thiazole;thiophene?

furan;1H-imidazole;oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,2-thiazole;1,3-thiazole;thiophene has a molecular weight of 1044.23 g/mol, XLogP of 9.20, 0 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for furan;1H-imidazole;oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,2-thiazole;1,3-thiazole;thiophene is sourced from PubChem (CID 158609169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).