benzene;furan;bis(pyridine);1,3-thiazole

C23H23N3OS — CID 157116389

IUPACbenzene;furan;bis(pyridine);1,3-thiazole
SMILESc1ccccc1.c1ccncc1.c1ccncc1.c1ccoc1.c1cscn1
InChIInChI=1S/C6H6.2C5H5N.C4H4O.C3H3NS/c3*1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-5-3-4-1/h1-6H;2*1-5H;1-4H;1-3H
InChIKeyAHLLEZPEVORZPR-UHFFFAOYSA-N
MW389.52 g/mol
LogP6.27
Rot. Bonds

About benzene;furan;bis(pyridine);1,3-thiazole

benzene;furan;bis(pyridine);1,3-thiazole (PubChem CID 157116389) has the molecular formula C23H23N3OS and a molecular weight of 389.52 g/mol. Its IUPAC name is benzene;furan;bis(pyridine);1,3-thiazole.

Molecular Properties

Compound Namebenzene;furan;bis(pyridine);1,3-thiazole
PubChem CID157116389
Molecular FormulaC23H23N3OS
Molecular Weight389.52 g/mol
Exact Mass389.16
IUPAC Namebenzene;furan;bis(pyridine);1,3-thiazole
SMILESc1ccccc1.c1ccncc1.c1ccncc1.c1ccoc1.c1cscn1
InChIInChI=1S/C6H6.2C5H5N.C4H4O.C3H3NS/c3*1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-5-3-4-1/h1-6H;2*1-5H;1-4H;1-3H
InChIKeyAHLLEZPEVORZPR-UHFFFAOYSA-N
XLogP6.27
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.52
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze benzene;furan;bis(pyridine);1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Furan;pyridine;thiophene
CID 19385467
5-[(E)-2-(furan-2-yl)ethenyl]-2-[[5-[(E)-2-(furan-2-yl)ethenyl]-2-pyridinyl]sulfinyl]pyridine
CID 139618879
ethane;furan;pyridine;1H-pyrrole;thiophene
CID 157248269
Ethane;furan;pyridine;thiophene
CID 157568253
Ethane;2-methylfuran;3-methylpyridine;2-methylthiophene;toluene
CID 157642029
Benzene;furan;octakis(2-methylpropane);pyridine;thiophene
CID 157686198
cyclopenta-1,3-diene;ethane;furan;2-methylpyridine;3-methylpyridine;2H-pyrrole;3H-pyrrole;1,3-thiazole;thiophene;toluene
CID 157694900
Ethane;furan;5-methyl-1,3-thiazole;pyridine;thiophene;toluene
CID 157777899
Furan;tris(pyridine);thiophene
CID 158086443
2-Methylfuran;2-methylpyridine;2-methylthiophene
CID 158094809
Ethane;furan;1-methylpyridin-1-ium;thiophene
CID 158140473
Cumene;1-propan-2-ylcyclohexene;2-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylfuran;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
CID 158203820

Frequently Asked Questions

What is the IUPAC name of benzene;furan;bis(pyridine);1,3-thiazole?
The IUPAC name of benzene;furan;bis(pyridine);1,3-thiazole (CID 157116389) is benzene;furan;bis(pyridine);1,3-thiazole.
What is the SMILES notation for benzene;furan;bis(pyridine);1,3-thiazole?
The canonical SMILES for benzene;furan;bis(pyridine);1,3-thiazole is c1ccccc1.c1ccncc1.c1ccncc1.c1ccoc1.c1cscn1.
What is the InChIKey of benzene;furan;bis(pyridine);1,3-thiazole?
The InChIKey is AHLLEZPEVORZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.2C5H5N.C4H4O.C3H3NS/c3*1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-5-3-4-1/h1-6H;2*1-5H;1-4H;1-3H.
What are the key properties of benzene;furan;bis(pyridine);1,3-thiazole?
benzene;furan;bis(pyridine);1,3-thiazole has a molecular weight of 389.52 g/mol, XLogP of 6.27, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;furan;bis(pyridine);1,3-thiazole is sourced from PubChem (CID 157116389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).