ethane;furan;1H-indazole;decakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;2-propan-2-yl-1,3-benzoxazole;1H-pyrrole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene

C127H276N14O5S4 — CID 158917473

IUPACethane;furan;1H-indazole;decakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;2-propan-2-yl-1,3-benzoxazole;1H-pyrrole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.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.CC(C)C.CC(C)c1nc2ccccc2o1.c1cc[nH]c1.c1ccc2[nH]ncc2c1.c1ccoc1.c1ccsc1.c1cocn1.c1cscn1.c1ncon1.c1ncsn1.c1nnco1.c1nncs1
InChIInChI=1S/C10H11NO.C7H6N2.C4H5N.C4H4O.C4H4S.10C4H10.C3H3NO.C3H3NS.2C2H2N2O.2C2H2N2S.22C2H6/c1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-2-4-7-6(3-1)5-8-9-7;3*1-2-4-5-3-1;10*1-4(2)3;2*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;22*1-2/h3-7H,1-2H3;1-5H,(H,8,9);1-5H;2*1-4H;10*4H,1-3H3;2*1-3H;4*1-2H;22*1-2H3
InChIKeyJHKHYPJNFSGTRU-UHFFFAOYSA-N
MW2207.97 g/mol
LogP50.79
Rot. Bonds1

About ethane;furan;1H-indazole;decakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;2-propan-2-yl-1,3-benzoxazole;1H-pyrrole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene

ethane;furan;1H-indazole;decakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;2-propan-2-yl-1,3-benzoxazole;1H-pyrrole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene (PubChem CID 158917473) has the molecular formula C127H276N14O5S4 and a molecular weight of 2207.97 g/mol. Its IUPAC name is ethane;furan;1H-indazole;decakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;2-propan-2-yl-1,3-benzoxazole;1H-pyrrole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene.

Molecular Properties

Compound Nameethane;furan;1H-indazole;decakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;2-propan-2-yl-1,3-benzoxazole;1H-pyrrole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene
PubChem CID158917473
Molecular FormulaC127H276N14O5S4
Molecular Weight2207.97 g/mol
Exact Mass2206.07
IUPAC Nameethane;furan;1H-indazole;decakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;2-propan-2-yl-1,3-benzoxazole;1H-pyrrole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.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.CC(C)C.CC(C)c1nc2ccccc2o1.c1cc[nH]c1.c1ccc2[nH]ncc2c1.c1ccoc1.c1ccsc1.c1cocn1.c1cscn1.c1ncon1.c1ncsn1.c1nnco1.c1nncs1
InChIInChI=1S/C10H11NO.C7H6N2.C4H5N.C4H4O.C4H4S.10C4H10.C3H3NO.C3H3NS.2C2H2N2O.2C2H2N2S.22C2H6/c1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-2-4-7-6(3-1)5-8-9-7;3*1-2-4-5-3-1;10*1-4(2)3;2*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;22*1-2/h3-7H,1-2H3;1-5H,(H,8,9);1-5H;2*1-4H;10*4H,1-3H3;2*1-3H;4*1-2H;22*1-2H3
InChIKeyJHKHYPJNFSGTRU-UHFFFAOYSA-N
XLogP50.79
TPSA251.96 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds1
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002207.97
LogP ≤ 550.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Analyze ethane;furan;1H-indazole;decakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;2-propan-2-yl-1,3-benzoxazole;1H-pyrrole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene with MolForge

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Related Compounds

cumene;methane;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;5-propan-2-yl-1,2,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);bis(2-propan-2-ylthiophene);2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole
CID 159939351
2-[5-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)-6-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-3-(1,3-thiazol-2-yl)cyclohexa-1,5-dien-1-yl]-1,3-benzoxazole
CID 141051882
2-[2-(1,3-benzothiazol-2-yl)-1-(1H-imidazol-2-yl)-1-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-1-yl]-1,3-benzoxazole
CID 141054334
1,2-benzothiazole;2,1-benzothiazole;1,2-benzoxazole;2,1-benzoxazole;cyclohexane;1H-indazole;hexakis(2-methylpropane);2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole
CID 157108600
2-methylfuran;2-methyl-1,3,4-oxadiazole;5-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3,4-thiadiazole;5-methyl-1,2,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;bis(5-methyl-1H-1,2,4-triazole)
CID 157121352
bis(1-benzofuran);bis(1-benzothiophene);bis(1,3-dihydroindol-2-one);1H-imidazole;bis(1H-indazole);bis(1H-indole);1-methylpiperidine;icosakis(2-methylpropane);1,3-oxazole;pyridine;1H-pyridin-2-one;1H-pyrrole;quinoline;1,3-thiazole;thiophene
CID 157160092
1H-benzimidazole;1-benzofuran;1-benzothiophene;1,2-benzoxazole;2,1-benzoxazole;furan;1H-indazole;1H-indole;undecakis(2-methylpropane);1,2-oxazole;1,3-oxazole;2-propan-2-yl-1,3-benzoxazole;1,2,4-thiadiazole
CID 157208846
2-tert-butylfuran;5-tert-butyl-1H-imidazole;2-tert-butyl-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;3-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;4-tert-butyl-2H-triazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole
CID 157274474
1-benzothiophene;ethane;furan;1H-imidazole;1H-indole;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;thiadiazole;1,2,4-thiadiazole;1,3-thiazole;thiophene
CID 157343910
azane;bis(1H-benzimidazole);bis(1-benzofuran);bis(1,2-benzothiazole);bis(1,3-benzothiazole);bis(1-benzothiophene);bis(1,2-benzoxazole);bis(1,3-benzoxazole);octadecakis(2,2-dimethylpropane);ethane;bis(1H-indazole);bis(1H-indole)
CID 157415310
2-methyl-4-propan-2-ylfuran;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylfuran;1-methyl-4-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-4-propan-2-yl-1H-pyrrole;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene
CID 157432180
1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1-benzothiophene;1,2-benzoxazole;1,3-benzoxazole;ethane;1H-indole;methane;oxadiazole;4,5,6,7-tetrahydro-1-benzothiophene;thiadiazole;1H-1,2,4-triazole;2H-triazole
CID 157463318

Frequently Asked Questions

What is the IUPAC name of ethane;furan;1H-indazole;decakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;2-propan-2-yl-1,3-benzoxazole;1H-pyrrole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene?
The IUPAC name of ethane;furan;1H-indazole;decakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;2-propan-2-yl-1,3-benzoxazole;1H-pyrrole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene (CID 158917473) is ethane;furan;1H-indazole;decakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;2-propan-2-yl-1,3-benzoxazole;1H-pyrrole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene.
What is the SMILES notation for ethane;furan;1H-indazole;decakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;2-propan-2-yl-1,3-benzoxazole;1H-pyrrole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene?
The canonical SMILES for ethane;furan;1H-indazole;decakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;2-propan-2-yl-1,3-benzoxazole;1H-pyrrole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.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.CC(C)C.CC(C)c1nc2ccccc2o1.c1cc[nH]c1.c1ccc2[nH]ncc2c1.c1ccoc1.c1ccsc1.c1cocn1.c1cscn1.c1ncon1.c1ncsn1.c1nnco1.c1nncs1.
What is the InChIKey of ethane;furan;1H-indazole;decakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;2-propan-2-yl-1,3-benzoxazole;1H-pyrrole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene?
The InChIKey is JHKHYPJNFSGTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO.C7H6N2.C4H5N.C4H4O.C4H4S.10C4H10.C3H3NO.C3H3NS.2C2H2N2O.2C2H2N2S.22C2H6/c1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-2-4-7-6(3-1)5-8-9-7;3*1-2-4-5-3-1;10*1-4(2)3;2*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;22*1-2/h3-7H,1-2H3;1-5H,(H,8,9);1-5H;2*1-4H;10*4H,1-3H3;2*1-3H;4*1-2H;22*1-2H3.
What are the key properties of ethane;furan;1H-indazole;decakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;2-propan-2-yl-1,3-benzoxazole;1H-pyrrole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene?
ethane;furan;1H-indazole;decakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;2-propan-2-yl-1,3-benzoxazole;1H-pyrrole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene has a molecular weight of 2207.97 g/mol, XLogP of 50.79, 1 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;furan;1H-indazole;decakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;2-propan-2-yl-1,3-benzoxazole;1H-pyrrole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene is sourced from PubChem (CID 158917473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).