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

C77H138N4O5S3 — CID 159200026

IUPACethane;furan;1H-indole;7-oxabicyclo[2.2.1]heptane;10-oxatricyclo[5.2.1.02,6]decane;1,3-oxazole;oxolane;pyridine;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.c1ccc2[nH]ccc2c1.c1ccncc1.c1ccoc1.c1cocn1.c1cscn1
InChIInChI=1S/C9H14O.C9H14S.C8H7N.C6H10O.C6H10S.C5H5N.C4H8O.C4H4O.C3H3NO.C3H3NS.10C2H6/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;2*1-2-4-5-3-1;2*1-2-5-3-4-1;10*1-2/h2*6-9H,1-5H2;1-6,9H;2*5-6H,1-4H2;1-5H;1-4H2;1-4H;2*1-3H;10*1-2H3
InChIKeyKPEACJNDONJVGY-UHFFFAOYSA-N
MW1296.17 g/mol
LogP25.42
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;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;7-thiabicyclo[2.2.1]heptane;10-thiatricyclo[5.2.1.02,6]decane;1,3-thiazole (PubChem CID 159200026) has the molecular formula C77H138N4O5S3 and a molecular weight of 1296.17 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;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;7-thiabicyclo[2.2.1]heptane;10-thiatricyclo[5.2.1.02,6]decane;1,3-thiazole
PubChem CID159200026
Molecular FormulaC77H138N4O5S3
Molecular Weight1296.17 g/mol
Exact Mass1294.98
IUPAC Nameethane;furan;1H-indole;7-oxabicyclo[2.2.1]heptane;10-oxatricyclo[5.2.1.02,6]decane;1,3-oxazole;oxolane;pyridine;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.c1ccc2[nH]ccc2c1.c1ccncc1.c1ccoc1.c1cocn1.c1cscn1
InChIInChI=1S/C9H14O.C9H14S.C8H7N.C6H10O.C6H10S.C5H5N.C4H8O.C4H4O.C3H3NO.C3H3NS.10C2H6/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;2*1-2-4-5-3-1;2*1-2-5-3-4-1;10*1-2/h2*6-9H,1-5H2;1-6,9H;2*5-6H,1-4H2;1-5H;1-4H2;1-4H;2*1-3H;10*1-2H3
InChIKeyKPEACJNDONJVGY-UHFFFAOYSA-N
XLogP25.42
TPSA108.43 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001296.17
LogP ≤ 525.42
H-Bond Donors ≤ 51
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;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

aniline;benzenesulfonamide;ethane;furan;1H-indole;7-oxabicyclo[2.2.1]heptane;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole
CID 157074292
aniline;benzenesulfonamide;ethane;furan;1H-indole;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole
CID 157320512
ethane;furan;1H-indole;7-oxabicyclo[2.2.1]heptane;10-oxatricyclo[5.2.1.02,6]decane;1,3-oxazole;pyridine;1H-pyrrole;7-thiabicyclo[2.2.1]heptane;10-thiatricyclo[5.2.1.02,6]decane;1,3-thiazole
CID 157670644
tert-butylbenzene;2-tert-butyl-3H-1-benzothiophen-3-ide;2-tert-butyl-1,3-dihydroindol-3-ide;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;2-tert-butylpyridine;bis(2-tert-butyl-1H-pyrrole);2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;ethane;methane;bis(yttrium)
CID 158337561
ethane;furan;1H-indole;7-oxabicyclo[2.2.1]heptane;10-oxatricyclo[5.2.1.02,6]decane;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole
CID 158872488
ethane;furan;1H-indole;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole
CID 158958592
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
2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(2H-benzimidazole);1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2H-indene;bis(2H-indole);tridecakis(2-methylpropane);2,3,4,6-tetrahydro-1H-cyclopenta[c]pyridine;4,5,6,7-tetrahydro-2H-indene
CID 159729918
1-benzofuran;1-benzothiophene;dibenzofuran;ethane;1H-indole;tris(2-methyl-1,3-benzoxazole);molecular hydrogen;9H-pyrido[3,4-b]indole
CID 159736081
1-benzofuran;1-benzothiophene;ethane;1H-indole;tris(2-methyl-1,3-benzoxazole)
CID 160029985
benzenesulfonamide;ethane;furan;1H-indole;7-oxabicyclo[2.2.1]heptane;10-oxatricyclo[5.2.1.02,6]decane;1,3-oxazole;pyridine;1H-pyrrole;7-thiabicyclo[2.2.1]heptane;1,3-thiazole
CID 160247024
ethane;furan;1H-indole;7-oxabicyclo[2.2.1]heptane;oxane;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 160303481

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;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;7-thiabicyclo[2.2.1]heptane;10-thiatricyclo[5.2.1.02,6]decane;1,3-thiazole (CID 159200026) is ethane;furan;1H-indole;7-oxabicyclo[2.2.1]heptane;10-oxatricyclo[5.2.1.02,6]decane;1,3-oxazole;oxolane;pyridine;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;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;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.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;7-thiabicyclo[2.2.1]heptane;10-thiatricyclo[5.2.1.02,6]decane;1,3-thiazole?
The InChIKey is KPEACJNDONJVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O.C9H14S.C8H7N.C6H10O.C6H10S.C5H5N.C4H8O.C4H4O.C3H3NO.C3H3NS.10C2H6/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;2*1-2-4-5-3-1;2*1-2-5-3-4-1;10*1-2/h2*6-9H,1-5H2;1-6,9H;2*5-6H,1-4H2;1-5H;1-4H2;1-4H;2*1-3H;10*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;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;7-thiabicyclo[2.2.1]heptane;10-thiatricyclo[5.2.1.02,6]decane;1,3-thiazole has a molecular weight of 1296.17 g/mol, XLogP of 25.42, 0 rotatable bonds, 1 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;7-thiabicyclo[2.2.1]heptane;10-thiatricyclo[5.2.1.02,6]decane;1,3-thiazole is sourced from PubChem (CID 159200026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).