ethane;furan;1H-imidazole;nonakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene

C79H170N12O4S4 — CID 159104548

IUPACethane;furan;1H-imidazole;nonakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1c[nH]cn1.c1ccoc1.c1ccsc1.c1cocn1.c1cscn1.c1ncon1.c1ncsn1.c1nnco1.c1nncs1
InChIInChI=1S/C4H4O.C4H4S.9C4H10.C3H4N2.C3H3NO.C3H3NS.2C2H2N2O.2C2H2N2S.9C2H6/c2*1-2-4-5-3-1;9*1-4(2)3;3*1-2-5-3-4-1;1-3-4-2-5-1;1-3-2-5-4-1;1-3-4-2-5-1;1-3-2-5-4-1;9*1-2/h2*1-4H;9*4H,1-3H3;1-3H,(H,4,5);2*1-3H;4*1-2H;9*1-2H3
InChIKeyKDSFQUIXTOKBTD-UHFFFAOYSA-N
MW1480.58 g/mol
LogP30.67
Rot. Bonds

About ethane;furan;1H-imidazole;nonakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene

ethane;furan;1H-imidazole;nonakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene (PubChem CID 159104548) has the molecular formula C79H170N12O4S4 and a molecular weight of 1480.58 g/mol. Its IUPAC name is ethane;furan;1H-imidazole;nonakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene.

Molecular Properties

Compound Nameethane;furan;1H-imidazole;nonakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene
PubChem CID159104548
Molecular FormulaC79H170N12O4S4
Molecular Weight1480.58 g/mol
Exact Mass1479.24
IUPAC Nameethane;furan;1H-imidazole;nonakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1c[nH]cn1.c1ccoc1.c1ccsc1.c1cocn1.c1cscn1.c1ncon1.c1ncsn1.c1nnco1.c1nncs1
InChIInChI=1S/C4H4O.C4H4S.9C4H10.C3H4N2.C3H3NO.C3H3NS.2C2H2N2O.2C2H2N2S.9C2H6/c2*1-2-4-5-3-1;9*1-4(2)3;3*1-2-5-3-4-1;1-3-4-2-5-1;1-3-2-5-4-1;1-3-4-2-5-1;1-3-2-5-4-1;9*1-2/h2*1-4H;9*4H,1-3H3;1-3H,(H,4,5);2*1-3H;4*1-2H;9*1-2H3
InChIKeyKDSFQUIXTOKBTD-UHFFFAOYSA-N
XLogP30.67
TPSA210.14 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001480.58
LogP ≤ 530.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Analyze ethane;furan;1H-imidazole;nonakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene with MolForge

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Related Compounds

ethane;furan;1H-imidazole;1,2,4-oxadiazole;1,3-oxazole;1H-pyrrole;1,2,4-thiadiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole
CID 157128509
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
2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole;cyclopenta-1,3-diene;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;heptakis(2,2-dimethylpropane);furan
CID 157204760
Ethane;furan;tris(2-methylpropane);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;1,3-oxazole;1,3-thiazole
CID 157520570
ethane;furan;1H-imidazole;methane;octakis(2-methylpropane);1,3-oxazole;4H-pyrazole;3H-pyrrole;1,3-thiazole;thiophene;1H-1,2,4-triazole
CID 157661264
furan;1H-imidazole;icosakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole
CID 157751107
ethane;furan;nonakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole
CID 158333839
3-methylfuran;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;2-methyl-1,3,4-thiadiazole;5-methyl-1,2,4-thiadiazole;3-methylthiophene;bis(5-methyl-1H-1,2,4-triazole)
CID 158409838
ethane;furan;1H-imidazole;1,2,4-oxadiazole;1,3-oxazole;1H-pyrrole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole
CID 158640292
ethane;furan;tetrakis(2-methylpropane);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,3-oxazole;1,3-thiazole;thiophene
CID 158741583
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
cyclopenta-1,3-diene;furan;1-methylimidazole;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 158949642

Frequently Asked Questions

What is the IUPAC name of ethane;furan;1H-imidazole;nonakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene?
The IUPAC name of ethane;furan;1H-imidazole;nonakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene (CID 159104548) is ethane;furan;1H-imidazole;nonakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene.
What is the SMILES notation for ethane;furan;1H-imidazole;nonakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene?
The canonical SMILES for ethane;furan;1H-imidazole;nonakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1c[nH]cn1.c1ccoc1.c1ccsc1.c1cocn1.c1cscn1.c1ncon1.c1ncsn1.c1nnco1.c1nncs1.
What is the InChIKey of ethane;furan;1H-imidazole;nonakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene?
The InChIKey is KDSFQUIXTOKBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O.C4H4S.9C4H10.C3H4N2.C3H3NO.C3H3NS.2C2H2N2O.2C2H2N2S.9C2H6/c2*1-2-4-5-3-1;9*1-4(2)3;3*1-2-5-3-4-1;1-3-4-2-5-1;1-3-2-5-4-1;1-3-4-2-5-1;1-3-2-5-4-1;9*1-2/h2*1-4H;9*4H,1-3H3;1-3H,(H,4,5);2*1-3H;4*1-2H;9*1-2H3.
What are the key properties of ethane;furan;1H-imidazole;nonakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene?
ethane;furan;1H-imidazole;nonakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene has a molecular weight of 1480.58 g/mol, XLogP of 30.67, 0 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;furan;1H-imidazole;nonakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene is sourced from PubChem (CID 159104548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).