azete;1H-azirine;2,3-dimethyloxirene;2,3-dimethylthiirene;ethane;furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;toluene

C96H197N11O4S4 — CID 158910266

IUPACazete;1H-azirine;2,3-dimethyloxirene;2,3-dimethylthiirene;ethane;furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;toluene
SMILESC1=CN1.C1=CN=C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=C(C)O1.CC1=C(C)S1.Cc1ccccc1.c1c[nH]cn1.c1cc[nH]c1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1
InChIInChI=1S/C7H8.C4H5N.C4H6O.C4H4O.C4H6S.C4H4S.2C3H4N2.2C3H3NO.2C3H3NS.C3H3N.C2H3N.23C2H6/c1-7-5-3-2-4-6-7;1-2-4-5-3-1;1-3-4(2)5-3;1-2-4-5-3-1;1-3-4(2)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;1-2-5-3-4-1;1-2-4-5-3-1;1-2-4-3-1;1-2-3-1;23*1-2/h2-6H,1H3;1-5H;1-2H3;1-4H;1-2H3;1-4H;2*1-3H,(H,4,5);4*1-3H;1-3H;1-3H;23*1-2H3
InChIKeyJGOCVNJHETWIRE-UHFFFAOYSA-N
MW1697.97 g/mol
LogP37.99
Rot. Bonds

About azete;1H-azirine;2,3-dimethyloxirene;2,3-dimethylthiirene;ethane;furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;toluene

azete;1H-azirine;2,3-dimethyloxirene;2,3-dimethylthiirene;ethane;furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;toluene (PubChem CID 158910266) has the molecular formula C96H197N11O4S4 and a molecular weight of 1697.97 g/mol. Its IUPAC name is azete;1H-azirine;2,3-dimethyloxirene;2,3-dimethylthiirene;ethane;furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;toluene.

Molecular Properties

Compound Nameazete;1H-azirine;2,3-dimethyloxirene;2,3-dimethylthiirene;ethane;furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;toluene
PubChem CID158910266
Molecular FormulaC96H197N11O4S4
Molecular Weight1697.97 g/mol
Exact Mass1696.44
IUPAC Nameazete;1H-azirine;2,3-dimethyloxirene;2,3-dimethylthiirene;ethane;furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;toluene
SMILESC1=CN1.C1=CN=C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=C(C)O1.CC1=C(C)S1.Cc1ccccc1.c1c[nH]cn1.c1cc[nH]c1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1
InChIInChI=1S/C7H8.C4H5N.C4H6O.C4H4O.C4H6S.C4H4S.2C3H4N2.2C3H3NO.2C3H3NS.C3H3N.C2H3N.23C2H6/c1-7-5-3-2-4-6-7;1-2-4-5-3-1;1-3-4(2)5-3;1-2-4-5-3-1;1-3-4(2)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;1-2-5-3-4-1;1-2-4-5-3-1;1-2-4-3-1;1-2-3-1;23*1-2/h2-6H,1H3;1-5H;1-2H3;1-4H;1-2H3;1-4H;2*1-3H,(H,4,5);4*1-3H;1-3H;1-3H;23*1-2H3
InChIKeyJGOCVNJHETWIRE-UHFFFAOYSA-N
XLogP37.99
TPSA210.96 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001697.97
LogP ≤ 537.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze azete;1H-azirine;2,3-dimethyloxirene;2,3-dimethylthiirene;ethane;furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;toluene with MolForge

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Related Compounds

1,5-Dimethylimidazole;3,4-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethylthiadiazole;2,3-dimethylthiophene;2,4-dimethyl-5-(trifluoromethyl)-1,3-oxazole;1-ethyl-3,5-dimethylpyrazole;methane;4-methyl-2,3-dihydro-1,2-thiazole;5-methyl-1,2-oxazole;4-methylthiadiazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3,4,5-trimethyl-1,2-oxazole;1,3,5-trimethylpyrazole;2,4,5-trimethyl-1,3-thiazole
CID 160647161
1,5-Dimethylimidazole;3,4-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethylthiadiazole;2,3-dimethylthiophene;2,4-dimethyl-5-(trifluoromethyl)-1,3-oxazole;1-ethyl-3,5-dimethylpyrazole;methane;5-methyl-1,2-oxazole;4-methylthiadiazole;5-methylthiadiazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3,4,5-trimethyl-1,2-oxazole;1,3,5-trimethylpyrazole;2,4,5-trimethyl-1,3-thiazole
CID 162145101
furan;2-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,2-oxazole;1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene
CID 67212847
furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene
CID 69493878
2-[2-[5-(1H-pyrrol-3-yl)-1H-pyrazol-4-yl]-1H-imidazol-5-yl]-4-[4-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,3-oxazole
CID 136170764
2-[2-[2-[3-[4-(1H-pyrazol-5-yl)-1,2-thiazol-5-yl]-1,2-oxazol-4-yl]-1,3-thiazol-4-yl]-1H-imidazol-5-yl]-4-(1H-pyrrol-2-yl)-1,3-oxazole
CID 136654843
4-(1,2-thiazol-3-yl)-3-[5-[2-[2-[2-(thiolan-2-yl)-1,3-oxazol-4-yl]-1,3-thiazol-4-yl]-1H-imidazol-5-yl]-1H-pyrazol-4-yl]-1,2-oxazole
CID 137076653
3-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1,3-oxazolidine
CID 141002498
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
2-[3-(1H-imidazol-2-yl)-6-(1,2-oxazol-3-yl)-2-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-1-pyridinyl]-1,3-oxazole
CID 141099595
2-[4-(1H-imidazol-2-yl)-3-(1,2-oxazol-3-yl)-6-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)pyrazin-2-yl]-1,3-oxazole
CID 141266509
3-[5-[1-(1-benzothiophen-2-yl)-1-(furan-2-yl)-5-(1,3-thiazol-2-yl)thiadiazol-4-yl]-3-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1,2-thiazol-3-yl)tetrazolidin-1-yl]-1,2,5-oxadiazole
CID 141439081

Frequently Asked Questions

What is the IUPAC name of azete;1H-azirine;2,3-dimethyloxirene;2,3-dimethylthiirene;ethane;furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;toluene?
The IUPAC name of azete;1H-azirine;2,3-dimethyloxirene;2,3-dimethylthiirene;ethane;furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;toluene (CID 158910266) is azete;1H-azirine;2,3-dimethyloxirene;2,3-dimethylthiirene;ethane;furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;toluene.
What is the SMILES notation for azete;1H-azirine;2,3-dimethyloxirene;2,3-dimethylthiirene;ethane;furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;toluene?
The canonical SMILES for azete;1H-azirine;2,3-dimethyloxirene;2,3-dimethylthiirene;ethane;furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;toluene is C1=CN1.C1=CN=C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=C(C)O1.CC1=C(C)S1.Cc1ccccc1.c1c[nH]cn1.c1cc[nH]c1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.
What is the InChIKey of azete;1H-azirine;2,3-dimethyloxirene;2,3-dimethylthiirene;ethane;furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;toluene?
The InChIKey is JGOCVNJHETWIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C4H5N.C4H6O.C4H4O.C4H6S.C4H4S.2C3H4N2.2C3H3NO.2C3H3NS.C3H3N.C2H3N.23C2H6/c1-7-5-3-2-4-6-7;1-2-4-5-3-1;1-3-4(2)5-3;1-2-4-5-3-1;1-3-4(2)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;1-2-5-3-4-1;1-2-4-5-3-1;1-2-4-3-1;1-2-3-1;23*1-2/h2-6H,1H3;1-5H;1-2H3;1-4H;1-2H3;1-4H;2*1-3H,(H,4,5);4*1-3H;1-3H;1-3H;23*1-2H3.
What are the key properties of azete;1H-azirine;2,3-dimethyloxirene;2,3-dimethylthiirene;ethane;furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;toluene?
azete;1H-azirine;2,3-dimethyloxirene;2,3-dimethylthiirene;ethane;furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;toluene has a molecular weight of 1697.97 g/mol, XLogP of 37.99, 0 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for azete;1H-azirine;2,3-dimethyloxirene;2,3-dimethylthiirene;ethane;furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;toluene is sourced from PubChem (CID 158910266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).