(Z)-but-2-en-1-imine;cyclopenta-1,3-diene;ethane;furan;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;4H-pyrazole;3H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene

C64H118N12O4S4 — CID 161233759

IUPAC(Z)-but-2-en-1-imine;cyclopenta-1,3-diene;ethane;furan;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;4H-pyrazole;3H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene
SMILESC1=CCC=C1.C1=CN=CC1.C1=NN=CC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.[H]/N=C/C=C\C.c1ccoc1.c1ccsc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1nnco1.c1nncs1
InChIInChI=1S/C5H6.C4H5N.C4H7N.C4H4O.C4H4S.C3H4N2.2C3H3NO.2C3H3NS.C2H2N2O.C2H2N2S.12C2H6/c2*1-2-4-5-3-1;1-2-3-4-5;3*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;2*1-3-4-2-5-1;12*1-2/h1-4H,5H2;1,3-4H,2H2;2-5H,1H3;2*1-4H;2-3H,1H2;4*1-3H;2*1-2H;12*1-2H3/b;;3-2-,5-4+;;;;;;;;;;;;;;;;;;;;;
InChIKeyUZCDYVHZORPNQU-KRQMDHBRSA-N
MW1248.00 g/mol
LogP23.72
Rot. Bonds1

About (Z)-but-2-en-1-imine;cyclopenta-1,3-diene;ethane;furan;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;4H-pyrazole;3H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene

(Z)-but-2-en-1-imine;cyclopenta-1,3-diene;ethane;furan;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;4H-pyrazole;3H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene (PubChem CID 161233759) has the molecular formula C64H118N12O4S4 and a molecular weight of 1248.00 g/mol. Its IUPAC name is (Z)-but-2-en-1-imine;cyclopenta-1,3-diene;ethane;furan;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;4H-pyrazole;3H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene.

Molecular Properties

Compound Name(Z)-but-2-en-1-imine;cyclopenta-1,3-diene;ethane;furan;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;4H-pyrazole;3H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene
PubChem CID161233759
Molecular FormulaC64H118N12O4S4
Molecular Weight1248.00 g/mol
Exact Mass1246.83
IUPAC Name(Z)-but-2-en-1-imine;cyclopenta-1,3-diene;ethane;furan;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;4H-pyrazole;3H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene
SMILESC1=CCC=C1.C1=CN=CC1.C1=NN=CC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.[H]/N=C/C=C\C.c1ccoc1.c1ccsc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1nnco1.c1nncs1
InChIInChI=1S/C5H6.C4H5N.C4H7N.C4H4O.C4H4S.C3H4N2.2C3H3NO.2C3H3NS.C2H2N2O.C2H2N2S.12C2H6/c2*1-2-4-5-3-1;1-2-3-4-5;3*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;2*1-3-4-2-5-1;12*1-2/h1-4H,5H2;1,3-4H,2H2;2-5H,1H3;2*1-4H;2-3H,1H2;4*1-3H;2*1-2H;12*1-2H3/b;;3-2-,5-4+;;;;;;;;;;;;;;;;;;;;;
InChIKeyUZCDYVHZORPNQU-KRQMDHBRSA-N
XLogP23.72
TPSA216.61 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds1
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001248.00
LogP ≤ 523.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (Z)-but-2-en-1-imine;cyclopenta-1,3-diene;ethane;furan;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;4H-pyrazole;3H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene 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-[1-(furan-2-yl)-1-(1,2-oxazol-3-yl)-2-(2H-tetrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-1-thiophen-2-yl-3H-thiadiazol-1-yl]-1,3-oxazole
CID 141026542
furan;1H-imidazole;undecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;3H-1,2,4-triazole
CID 157128700
furan;oxadiazole;bis(1,3-oxazole);2H-pyran;4H-pyran;1,2-thiazole;1,3-thiazole;thiophene
CID 157601814
Ethane;furan;bis(1-methylpyrazole);bis(1-methylpyrrole);1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;thiophene
CID 157801845
cyclopenta-1,3-diene;ethane;furan;2H-imidazole;4H-imidazole;methane;henicosakis(2-methylpropane);1,2,4-oxadiazole;1,2,5-oxadiazole;bis(1,3,4-oxadiazole);1,2-oxazole;1,3-oxazole;3H-pyrazole;4H-pyrazole;2H-pyrrole;3H-pyrrole;1,2,4-thiadiazole;1,2,5-thiadiazole;bis(1,3,4-thiadiazole);1,2-thiazole;1,3-thiazole;thiophene
CID 158022670
CID 158131853
CID 158131853
Ethane;5-methyl-4,5-dihydro-1,2-thiazole;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiolane;2-methylthiophene;3-methylthiophene
CID 158377638
cyclopenta-1,3-diene;furan;1-methylimidazole;1,2-oxazole;1,3-oxazole;4H-pyrazole;2H-pyrrole;3H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene
CID 158394644
furan;1,2-oxazole;1,3-oxazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene
CID 158545313
cyclopenta-1,3-diene;furan;1,2-oxazole;1,3-oxazole;3H-pyrazole;4H-pyrazole;2H-pyrrole;3H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene
CID 158591975
3-Methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole
CID 158769832
cyclopenta-1,3-diene;furan;1-methylimidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;4H-pyrazole;2H-pyrrole;3H-pyrrole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene
CID 158922572

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-en-1-imine;cyclopenta-1,3-diene;ethane;furan;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;4H-pyrazole;3H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene?
The IUPAC name of (Z)-but-2-en-1-imine;cyclopenta-1,3-diene;ethane;furan;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;4H-pyrazole;3H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene (CID 161233759) is (Z)-but-2-en-1-imine;cyclopenta-1,3-diene;ethane;furan;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;4H-pyrazole;3H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene.
What is the SMILES notation for (Z)-but-2-en-1-imine;cyclopenta-1,3-diene;ethane;furan;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;4H-pyrazole;3H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene?
The canonical SMILES for (Z)-but-2-en-1-imine;cyclopenta-1,3-diene;ethane;furan;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;4H-pyrazole;3H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene is C1=CCC=C1.C1=CN=CC1.C1=NN=CC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.[H]/N=C/C=C\C.c1ccoc1.c1ccsc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1nnco1.c1nncs1.
What is the InChIKey of (Z)-but-2-en-1-imine;cyclopenta-1,3-diene;ethane;furan;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;4H-pyrazole;3H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene?
The InChIKey is UZCDYVHZORPNQU-KRQMDHBRSA-N. The full InChI is InChI=1S/C5H6.C4H5N.C4H7N.C4H4O.C4H4S.C3H4N2.2C3H3NO.2C3H3NS.C2H2N2O.C2H2N2S.12C2H6/c2*1-2-4-5-3-1;1-2-3-4-5;3*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;2*1-3-4-2-5-1;12*1-2/h1-4H,5H2;1,3-4H,2H2;2-5H,1H3;2*1-4H;2-3H,1H2;4*1-3H;2*1-2H;12*1-2H3/b;;3-2-,5-4+;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of (Z)-but-2-en-1-imine;cyclopenta-1,3-diene;ethane;furan;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;4H-pyrazole;3H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene?
(Z)-but-2-en-1-imine;cyclopenta-1,3-diene;ethane;furan;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;4H-pyrazole;3H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene has a molecular weight of 1248.00 g/mol, XLogP of 23.72, 1 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-en-1-imine;cyclopenta-1,3-diene;ethane;furan;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;4H-pyrazole;3H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene is sourced from PubChem (CID 161233759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).