ethane;furan;1H-indole;7-oxabicyclo[2.2.1]heptane;10-oxatricyclo[5.2.1.02,6]decane;1,3-oxazole;oxolane;pyridine;1H-pyrrole;7-thiabicyclo[2.2.1]heptane;10-thiatricyclo[5.2.1.02,6]decane;1,3-thiazole

C83H149N5O5S3 — CID 159292563

IUPACethane;furan;1H-indole;7-oxabicyclo[2.2.1]heptane;10-oxatricyclo[5.2.1.02,6]decane;1,3-oxazole;oxolane;pyridine;1H-pyrrole;7-thiabicyclo[2.2.1]heptane;10-thiatricyclo[5.2.1.02,6]decane;1,3-thiazole
SMILESC1CC2C3CCC(O3)C2C1.C1CC2C3CCC(S3)C2C1.C1CC2CCC1O2.C1CC2CCC1S2.C1CCOC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccncc1.c1ccoc1.c1cocn1.c1cscn1
InChIInChI=1S/C9H14O.C9H14S.C8H7N.C6H10O.C6H10S.C5H5N.C4H5N.C4H8O.C4H4O.C3H3NO.C3H3NS.11C2H6/c2*1-2-6-7(3-1)9-5-4-8(6)10-9;1-2-4-8-7(3-1)5-6-9-8;2*1-2-6-4-3-5(1)7-6;1-2-4-6-5-3-1;3*1-2-4-5-3-1;2*1-2-5-3-4-1;11*1-2/h2*6-9H,1-5H2;1-6,9H;2*5-6H,1-4H2;1-5H;1-5H;1-4H2;1-4H;2*1-3H;11*1-2H3
InChIKeyLAHQXSUGPKUJCY-UHFFFAOYSA-N
MW1393.34 g/mol
LogP27.46
Rot. Bonds

About ethane;furan;1H-indole;7-oxabicyclo[2.2.1]heptane;10-oxatricyclo[5.2.1.02,6]decane;1,3-oxazole;oxolane;pyridine;1H-pyrrole;7-thiabicyclo[2.2.1]heptane;10-thiatricyclo[5.2.1.02,6]decane;1,3-thiazole

ethane;furan;1H-indole;7-oxabicyclo[2.2.1]heptane;10-oxatricyclo[5.2.1.02,6]decane;1,3-oxazole;oxolane;pyridine;1H-pyrrole;7-thiabicyclo[2.2.1]heptane;10-thiatricyclo[5.2.1.02,6]decane;1,3-thiazole (PubChem CID 159292563) has the molecular formula C83H149N5O5S3 and a molecular weight of 1393.34 g/mol. Its IUPAC name is ethane;furan;1H-indole;7-oxabicyclo[2.2.1]heptane;10-oxatricyclo[5.2.1.02,6]decane;1,3-oxazole;oxolane;pyridine;1H-pyrrole;7-thiabicyclo[2.2.1]heptane;10-thiatricyclo[5.2.1.02,6]decane;1,3-thiazole.

Molecular Properties

Compound Nameethane;furan;1H-indole;7-oxabicyclo[2.2.1]heptane;10-oxatricyclo[5.2.1.02,6]decane;1,3-oxazole;oxolane;pyridine;1H-pyrrole;7-thiabicyclo[2.2.1]heptane;10-thiatricyclo[5.2.1.02,6]decane;1,3-thiazole
PubChem CID159292563
Molecular FormulaC83H149N5O5S3
Molecular Weight1393.34 g/mol
Exact Mass1392.07
IUPAC Nameethane;furan;1H-indole;7-oxabicyclo[2.2.1]heptane;10-oxatricyclo[5.2.1.02,6]decane;1,3-oxazole;oxolane;pyridine;1H-pyrrole;7-thiabicyclo[2.2.1]heptane;10-thiatricyclo[5.2.1.02,6]decane;1,3-thiazole
SMILESC1CC2C3CCC(O3)C2C1.C1CC2C3CCC(S3)C2C1.C1CC2CCC1O2.C1CC2CCC1S2.C1CCOC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccncc1.c1ccoc1.c1cocn1.c1cscn1
InChIInChI=1S/C9H14O.C9H14S.C8H7N.C6H10O.C6H10S.C5H5N.C4H5N.C4H8O.C4H4O.C3H3NO.C3H3NS.11C2H6/c2*1-2-6-7(3-1)9-5-4-8(6)10-9;1-2-4-8-7(3-1)5-6-9-8;2*1-2-6-4-3-5(1)7-6;1-2-4-6-5-3-1;3*1-2-4-5-3-1;2*1-2-5-3-4-1;11*1-2/h2*6-9H,1-5H2;1-6,9H;2*5-6H,1-4H2;1-5H;1-5H;1-4H2;1-4H;2*1-3H;11*1-2H3
InChIKeyLAHQXSUGPKUJCY-UHFFFAOYSA-N
XLogP27.46
TPSA124.22 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms96
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001393.34
LogP ≤ 527.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze ethane;furan;1H-indole;7-oxabicyclo[2.2.1]heptane;10-oxatricyclo[5.2.1.02,6]decane;1,3-oxazole;oxolane;pyridine;1H-pyrrole;7-thiabicyclo[2.2.1]heptane;10-thiatricyclo[5.2.1.02,6]decane;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

Frequently Asked Questions

What is the IUPAC name of ethane;furan;1H-indole;7-oxabicyclo[2.2.1]heptane;10-oxatricyclo[5.2.1.02,6]decane;1,3-oxazole;oxolane;pyridine;1H-pyrrole;7-thiabicyclo[2.2.1]heptane;10-thiatricyclo[5.2.1.02,6]decane;1,3-thiazole?
The IUPAC name of ethane;furan;1H-indole;7-oxabicyclo[2.2.1]heptane;10-oxatricyclo[5.2.1.02,6]decane;1,3-oxazole;oxolane;pyridine;1H-pyrrole;7-thiabicyclo[2.2.1]heptane;10-thiatricyclo[5.2.1.02,6]decane;1,3-thiazole (CID 159292563) is ethane;furan;1H-indole;7-oxabicyclo[2.2.1]heptane;10-oxatricyclo[5.2.1.02,6]decane;1,3-oxazole;oxolane;pyridine;1H-pyrrole;7-thiabicyclo[2.2.1]heptane;10-thiatricyclo[5.2.1.02,6]decane;1,3-thiazole.
What is the SMILES notation for ethane;furan;1H-indole;7-oxabicyclo[2.2.1]heptane;10-oxatricyclo[5.2.1.02,6]decane;1,3-oxazole;oxolane;pyridine;1H-pyrrole;7-thiabicyclo[2.2.1]heptane;10-thiatricyclo[5.2.1.02,6]decane;1,3-thiazole?
The canonical SMILES for ethane;furan;1H-indole;7-oxabicyclo[2.2.1]heptane;10-oxatricyclo[5.2.1.02,6]decane;1,3-oxazole;oxolane;pyridine;1H-pyrrole;7-thiabicyclo[2.2.1]heptane;10-thiatricyclo[5.2.1.02,6]decane;1,3-thiazole is C1CC2C3CCC(O3)C2C1.C1CC2C3CCC(S3)C2C1.C1CC2CCC1O2.C1CC2CCC1S2.C1CCOC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccncc1.c1ccoc1.c1cocn1.c1cscn1.
What is the InChIKey of ethane;furan;1H-indole;7-oxabicyclo[2.2.1]heptane;10-oxatricyclo[5.2.1.02,6]decane;1,3-oxazole;oxolane;pyridine;1H-pyrrole;7-thiabicyclo[2.2.1]heptane;10-thiatricyclo[5.2.1.02,6]decane;1,3-thiazole?
The InChIKey is LAHQXSUGPKUJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O.C9H14S.C8H7N.C6H10O.C6H10S.C5H5N.C4H5N.C4H8O.C4H4O.C3H3NO.C3H3NS.11C2H6/c2*1-2-6-7(3-1)9-5-4-8(6)10-9;1-2-4-8-7(3-1)5-6-9-8;2*1-2-6-4-3-5(1)7-6;1-2-4-6-5-3-1;3*1-2-4-5-3-1;2*1-2-5-3-4-1;11*1-2/h2*6-9H,1-5H2;1-6,9H;2*5-6H,1-4H2;1-5H;1-5H;1-4H2;1-4H;2*1-3H;11*1-2H3.
What are the key properties of ethane;furan;1H-indole;7-oxabicyclo[2.2.1]heptane;10-oxatricyclo[5.2.1.02,6]decane;1,3-oxazole;oxolane;pyridine;1H-pyrrole;7-thiabicyclo[2.2.1]heptane;10-thiatricyclo[5.2.1.02,6]decane;1,3-thiazole?
ethane;furan;1H-indole;7-oxabicyclo[2.2.1]heptane;10-oxatricyclo[5.2.1.02,6]decane;1,3-oxazole;oxolane;pyridine;1H-pyrrole;7-thiabicyclo[2.2.1]heptane;10-thiatricyclo[5.2.1.02,6]decane;1,3-thiazole has a molecular weight of 1393.34 g/mol, XLogP of 27.46, 0 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;furan;1H-indole;7-oxabicyclo[2.2.1]heptane;10-oxatricyclo[5.2.1.02,6]decane;1,3-oxazole;oxolane;pyridine;1H-pyrrole;7-thiabicyclo[2.2.1]heptane;10-thiatricyclo[5.2.1.02,6]decane;1,3-thiazole is sourced from PubChem (CID 159292563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).