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

C56H56N4O2S4 — CID 160894461

IUPAC2-[(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
SMILESC/C=C/c1ccccn1.C/C=C/c1ccco1.C/C=C/c1cccs1.C/C=C/c1nccs1.CC#Cc1ccccn1.CC#Cc1ccco1.CC#Cc1cccs1.CC#Cc1nccs1
InChIInChI=1S/C8H9N.C8H7N.C7H8O.C7H6O.C7H8S.C7H6S.C6H7NS.C6H5NS/c2*1-2-5-8-6-3-4-7-9-8;4*1-2-4-7-5-3-6-8-7;2*1-2-3-6-7-4-5-8-6/h2-7H,1H3;3-4,6-7H,1H3;2-6H,1H3;3,5-6H,1H3;2-6H,1H3;3,5-6H,1H3;2-5H,1H3;4-5H,1H3/b5-2+;;4-2+;;4-2+;;3-2+;
InChIKeySORNSIYISPPHPZ-ODJIRWTFSA-N
MW945.36 g/mol
LogP16.12
Rot. Bonds4

About 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

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 (PubChem CID 160894461) has the molecular formula C56H56N4O2S4 and a molecular weight of 945.36 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(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
PubChem CID160894461
Molecular FormulaC56H56N4O2S4
Molecular Weight945.36 g/mol
Exact Mass944.33
IUPAC Name2-[(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
SMILESC/C=C/c1ccccn1.C/C=C/c1ccco1.C/C=C/c1cccs1.C/C=C/c1nccs1.CC#Cc1ccccn1.CC#Cc1ccco1.CC#Cc1cccs1.CC#Cc1nccs1
InChIInChI=1S/C8H9N.C8H7N.C7H8O.C7H6O.C7H8S.C7H6S.C6H7NS.C6H5NS/c2*1-2-5-8-6-3-4-7-9-8;4*1-2-4-7-5-3-6-8-7;2*1-2-3-6-7-4-5-8-6/h2-7H,1H3;3-4,6-7H,1H3;2-6H,1H3;3,5-6H,1H3;2-6H,1H3;3,5-6H,1H3;2-5H,1H3;4-5H,1H3/b5-2+;;4-2+;;4-2+;;3-2+;
InChIKeySORNSIYISPPHPZ-ODJIRWTFSA-N
XLogP16.12
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500945.36
LogP ≤ 516.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 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 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

2-(Furan-2-yl)-5-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazole
CID 141060193
1-Tert-butyl-3,5-dimethylpyrazole;2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-3-methylpyridine;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole
CID 157096905
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
2,3-Dimethylfuran;4,5-dimethyl-1,3-oxazole;2,3-dimethylpyridine;4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;1,2-xylene
CID 157401617
2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157431953
Cumene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
CID 157439072
2,3-Dimethylfuran;1,2-dimethylpyrrole;2,3-dimethylthiophene;methane;1,2,3-trimethylpyrrole
CID 157530430
Ethane;methane;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;3-methyl-1,2-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
CID 157576652
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;methane;1,3-xylene
CID 157577463
cyclopenta-1,3-diene;ethane;furan;2-methylpyridine;3-methylpyridine;2H-pyrrole;3H-pyrrole;1,3-thiazole;thiophene;toluene
CID 157694900
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;methane;1,4-xylene
CID 157753156
Ethane;furan;5-methyl-1,3-thiazole;pyridine;thiophene;toluene
CID 157777899

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C/C=C/c1ccccn1.C/C=C/c1ccco1.C/C=C/c1cccs1.C/C=C/c1nccs1.CC#Cc1ccccn1.CC#Cc1ccco1.CC#Cc1cccs1.CC#Cc1nccs1.
What is the InChIKey of 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?
The InChIKey is SORNSIYISPPHPZ-ODJIRWTFSA-N. The full InChI is InChI=1S/C8H9N.C8H7N.C7H8O.C7H6O.C7H8S.C7H6S.C6H7NS.C6H5NS/c2*1-2-5-8-6-3-4-7-9-8;4*1-2-4-7-5-3-6-8-7;2*1-2-3-6-7-4-5-8-6/h2-7H,1H3;3-4,6-7H,1H3;2-6H,1H3;3,5-6H,1H3;2-6H,1H3;3,5-6H,1H3;2-5H,1H3;4-5H,1H3/b5-2+;;4-2+;;4-2+;;3-2+;.
What are the key properties of 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?
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 has a molecular weight of 945.36 g/mol, XLogP of 16.12, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160894461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).