ethane;2-fluoro-5-thiophen-2-ylfuran;2-methyl-5-thiophen-2-ylfuran;2-pentyl-5-thiophen-2-yl-1,3-thiazole;2-thiophen-2-yl-1,3-thiazole;5-thiophen-2-yl-1,3-thiazole

C53H68FN3O2S8 — CID 157136170

IUPACethane;2-fluoro-5-thiophen-2-ylfuran;2-methyl-5-thiophen-2-ylfuran;2-pentyl-5-thiophen-2-yl-1,3-thiazole;2-thiophen-2-yl-1,3-thiazole;5-thiophen-2-yl-1,3-thiazole
SMILESCC.CC.CC.CC.CC.CCCCCc1ncc(-c2cccs2)s1.Cc1ccc(-c2cccs2)o1.Fc1ccc(-c2cccs2)o1.c1csc(-c2cncs2)c1.c1csc(-c2nccs2)c1
InChIInChI=1S/C12H15NS2.C9H8OS.C8H5FOS.2C7H5NS2.5C2H6/c1-2-3-4-7-12-13-9-11(15-12)10-6-5-8-14-10;1-7-4-5-8(10-7)9-3-2-6-11-9;9-8-4-3-6(10-8)7-2-1-5-11-7;1-2-6(9-4-1)7-8-3-5-10-7;1-2-6(9-3-1)7-4-8-5-10-7;5*1-2/h5-6,8-9H,2-4,7H2,1H3;2-6H,1H3;1-5H;2*1-5H;5*1-2H3
InChIKeyAJQLCBMSBQASDN-UHFFFAOYSA-N
MW1054.68 g/mol
LogP21.94
Rot. Bonds9

About ethane;2-fluoro-5-thiophen-2-ylfuran;2-methyl-5-thiophen-2-ylfuran;2-pentyl-5-thiophen-2-yl-1,3-thiazole;2-thiophen-2-yl-1,3-thiazole;5-thiophen-2-yl-1,3-thiazole

ethane;2-fluoro-5-thiophen-2-ylfuran;2-methyl-5-thiophen-2-ylfuran;2-pentyl-5-thiophen-2-yl-1,3-thiazole;2-thiophen-2-yl-1,3-thiazole;5-thiophen-2-yl-1,3-thiazole (PubChem CID 157136170) has the molecular formula C53H68FN3O2S8 and a molecular weight of 1054.68 g/mol. Its IUPAC name is ethane;2-fluoro-5-thiophen-2-ylfuran;2-methyl-5-thiophen-2-ylfuran;2-pentyl-5-thiophen-2-yl-1,3-thiazole;2-thiophen-2-yl-1,3-thiazole;5-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Nameethane;2-fluoro-5-thiophen-2-ylfuran;2-methyl-5-thiophen-2-ylfuran;2-pentyl-5-thiophen-2-yl-1,3-thiazole;2-thiophen-2-yl-1,3-thiazole;5-thiophen-2-yl-1,3-thiazole
PubChem CID157136170
Molecular FormulaC53H68FN3O2S8
Molecular Weight1054.68 g/mol
Exact Mass1053.31
IUPAC Nameethane;2-fluoro-5-thiophen-2-ylfuran;2-methyl-5-thiophen-2-ylfuran;2-pentyl-5-thiophen-2-yl-1,3-thiazole;2-thiophen-2-yl-1,3-thiazole;5-thiophen-2-yl-1,3-thiazole
SMILESCC.CC.CC.CC.CC.CCCCCc1ncc(-c2cccs2)s1.Cc1ccc(-c2cccs2)o1.Fc1ccc(-c2cccs2)o1.c1csc(-c2cncs2)c1.c1csc(-c2nccs2)c1
InChIInChI=1S/C12H15NS2.C9H8OS.C8H5FOS.2C7H5NS2.5C2H6/c1-2-3-4-7-12-13-9-11(15-12)10-6-5-8-14-10;1-7-4-5-8(10-7)9-3-2-6-11-9;9-8-4-3-6(10-8)7-2-1-5-11-7;1-2-6(9-4-1)7-8-3-5-10-7;1-2-6(9-3-1)7-4-8-5-10-7;5*1-2/h5-6,8-9H,2-4,7H2,1H3;2-6H,1H3;1-5H;2*1-5H;5*1-2H3
InChIKeyAJQLCBMSBQASDN-UHFFFAOYSA-N
XLogP21.94
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001054.68
LogP ≤ 521.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethane;2-fluoro-5-thiophen-2-ylfuran;2-methyl-5-thiophen-2-ylfuran;2-pentyl-5-thiophen-2-yl-1,3-thiazole;2-thiophen-2-yl-1,3-thiazole;5-thiophen-2-yl-1,3-thiazole with MolForge

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Related Compounds

Ethane;2-(furan-2-yl)-1,3-thiazole;5-(furan-2-yl)-1,3-thiazole;2-hexyl-5-thiophen-2-yl-1,3-thiazole;2-pentyl-5-thiophen-2-yl-1,3-thiazole;2-thiophen-2-yl-1,3-thiazole;5-thiophen-2-yl-1,3-thiazole
CID 157331338
Furan;1-methylpyrrole;2-pentylfuran;2-pentylthiophene;thiophene;triethyl(furan-2-yl)silane;triethyl-(1-methylpyrrol-2-yl)silane;triethyl-(5-pentylfuran-2-yl)silane;triethyl-(5-pentylthiophen-2-yl)silane;triethyl(thiophen-2-yl)silane
CID 157334254
2,4-Dimethylfuran;2,5-dimethylfuran;2,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;ethane;methane;toluene
CID 158570664
2,4-Dimethylfuran;2,5-dimethylfuran;2,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;ethane;toluene
CID 159675677
Ethane;5-(furan-2-yl)-2-hexyl-1,3-thiazole;2-(furan-2-yl)-1,3-thiazole;5-(furan-2-yl)-1,3-thiazole;5-hexyl-2-thiophen-2-yl-1,3-thiazole;2-thiophen-3-ylthiophene
CID 159852167
1-Methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene
CID 159989375
Ethane;2-(furan-2-yl)-1,3-thiazole;5-(furan-2-yl)-1,3-thiazole;5-hexyl-2-thiophen-2-yl-1,3-thiazole;2-pentyl-5-thiophen-2-yl-1,3-thiazole;2-thiophen-2-yl-1,3-thiazole;5-thiophen-2-yl-1,3-thiazole
CID 160487809
1-Methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene)
CID 160723635
2,5-Di(propan-2-yl)furan;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)thiophene;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;1-propan-2-ylpyrrole;2-propan-2-ylthiophene
CID 160759004
2-[(E)-prop-1-enyl]furan;2-[(E)-prop-1-enyl]pyridine;2-[(E)-prop-1-enyl]-1,3-thiazole;2-[(E)-prop-1-enyl]thiophene;2-prop-1-ynylfuran;2-prop-1-ynylpyridine;2-prop-1-ynyl-1,3-thiazole;2-prop-1-ynylthiophene
CID 160894461
2,5-Di(propan-2-yl)furan;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)thiophene;methane;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;1-propan-2-ylpyrrole;2-propan-2-ylthiophene
CID 161210002
Bis(2,5-dimethylfuran);bis(2,5-dimethyl-1,3-thiazole);bis(2,5-dimethylthiophene)
CID 161750638

Frequently Asked Questions

What is the IUPAC name of ethane;2-fluoro-5-thiophen-2-ylfuran;2-methyl-5-thiophen-2-ylfuran;2-pentyl-5-thiophen-2-yl-1,3-thiazole;2-thiophen-2-yl-1,3-thiazole;5-thiophen-2-yl-1,3-thiazole?
The IUPAC name of ethane;2-fluoro-5-thiophen-2-ylfuran;2-methyl-5-thiophen-2-ylfuran;2-pentyl-5-thiophen-2-yl-1,3-thiazole;2-thiophen-2-yl-1,3-thiazole;5-thiophen-2-yl-1,3-thiazole (CID 157136170) is ethane;2-fluoro-5-thiophen-2-ylfuran;2-methyl-5-thiophen-2-ylfuran;2-pentyl-5-thiophen-2-yl-1,3-thiazole;2-thiophen-2-yl-1,3-thiazole;5-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for ethane;2-fluoro-5-thiophen-2-ylfuran;2-methyl-5-thiophen-2-ylfuran;2-pentyl-5-thiophen-2-yl-1,3-thiazole;2-thiophen-2-yl-1,3-thiazole;5-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for ethane;2-fluoro-5-thiophen-2-ylfuran;2-methyl-5-thiophen-2-ylfuran;2-pentyl-5-thiophen-2-yl-1,3-thiazole;2-thiophen-2-yl-1,3-thiazole;5-thiophen-2-yl-1,3-thiazole is CC.CC.CC.CC.CC.CCCCCc1ncc(-c2cccs2)s1.Cc1ccc(-c2cccs2)o1.Fc1ccc(-c2cccs2)o1.c1csc(-c2cncs2)c1.c1csc(-c2nccs2)c1.
What is the InChIKey of ethane;2-fluoro-5-thiophen-2-ylfuran;2-methyl-5-thiophen-2-ylfuran;2-pentyl-5-thiophen-2-yl-1,3-thiazole;2-thiophen-2-yl-1,3-thiazole;5-thiophen-2-yl-1,3-thiazole?
The InChIKey is AJQLCBMSBQASDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS2.C9H8OS.C8H5FOS.2C7H5NS2.5C2H6/c1-2-3-4-7-12-13-9-11(15-12)10-6-5-8-14-10;1-7-4-5-8(10-7)9-3-2-6-11-9;9-8-4-3-6(10-8)7-2-1-5-11-7;1-2-6(9-4-1)7-8-3-5-10-7;1-2-6(9-3-1)7-4-8-5-10-7;5*1-2/h5-6,8-9H,2-4,7H2,1H3;2-6H,1H3;1-5H;2*1-5H;5*1-2H3.
What are the key properties of ethane;2-fluoro-5-thiophen-2-ylfuran;2-methyl-5-thiophen-2-ylfuran;2-pentyl-5-thiophen-2-yl-1,3-thiazole;2-thiophen-2-yl-1,3-thiazole;5-thiophen-2-yl-1,3-thiazole?
ethane;2-fluoro-5-thiophen-2-ylfuran;2-methyl-5-thiophen-2-ylfuran;2-pentyl-5-thiophen-2-yl-1,3-thiazole;2-thiophen-2-yl-1,3-thiazole;5-thiophen-2-yl-1,3-thiazole has a molecular weight of 1054.68 g/mol, XLogP of 21.94, 9 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-fluoro-5-thiophen-2-ylfuran;2-methyl-5-thiophen-2-ylfuran;2-pentyl-5-thiophen-2-yl-1,3-thiazole;2-thiophen-2-yl-1,3-thiazole;5-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 157136170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).