benzene;cyclohexane;cyclopenta-1,3-diene;cyclopentane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane;furan;methane;1,3-oxazole;pyridine;1,3-thiazole;thiophene

C91H194N6O2S2 — CID 158883727

IUPACbenzene;cyclohexane;cyclopenta-1,3-diene;cyclopentane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane;furan;methane;1,3-oxazole;pyridine;1,3-thiazole;thiophene
SMILESC.C1=CCC=C1.C1CCCC1.C1CCCCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1CCN(C)CC1.CN1CCN(C)CC1.c1ccccc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cocn1.c1cscn1
InChIInChI=1S/C7H15N.C6H14N2.C6H12.C6H6.C5H5N.C5H10.C5H6.C4H4O.C4H4S.C3H3NO.C3H3NS.18C2H6.CH4/c2*1-7-3-5-8(2)6-4-7;3*1-2-4-6-5-3-1;4*1-2-4-5-3-1;2*1-2-5-3-4-1;18*1-2;/h7H,3-6H2,1-2H3;3-6H2,1-2H3;1-6H2;1-6H;1-5H;1-5H2;1-4H,5H2;2*1-4H;2*1-3H;18*1-2H3;1H4
InChIKeyJDISXIKNLWYPEC-UHFFFAOYSA-N
MW1468.73 g/mol
LogP33.73
Rot. Bonds

About benzene;cyclohexane;cyclopenta-1,3-diene;cyclopentane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane;furan;methane;1,3-oxazole;pyridine;1,3-thiazole;thiophene

benzene;cyclohexane;cyclopenta-1,3-diene;cyclopentane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane;furan;methane;1,3-oxazole;pyridine;1,3-thiazole;thiophene (PubChem CID 158883727) has the molecular formula C91H194N6O2S2 and a molecular weight of 1468.73 g/mol. Its IUPAC name is benzene;cyclohexane;cyclopenta-1,3-diene;cyclopentane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane;furan;methane;1,3-oxazole;pyridine;1,3-thiazole;thiophene.

Molecular Properties

Compound Namebenzene;cyclohexane;cyclopenta-1,3-diene;cyclopentane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane;furan;methane;1,3-oxazole;pyridine;1,3-thiazole;thiophene
PubChem CID158883727
Molecular FormulaC91H194N6O2S2
Molecular Weight1468.73 g/mol
Exact Mass1467.47
IUPAC Namebenzene;cyclohexane;cyclopenta-1,3-diene;cyclopentane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane;furan;methane;1,3-oxazole;pyridine;1,3-thiazole;thiophene
SMILESC.C1=CCC=C1.C1CCCC1.C1CCCCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1CCN(C)CC1.CN1CCN(C)CC1.c1ccccc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cocn1.c1cscn1
InChIInChI=1S/C7H15N.C6H14N2.C6H12.C6H6.C5H5N.C5H10.C5H6.C4H4O.C4H4S.C3H3NO.C3H3NS.18C2H6.CH4/c2*1-7-3-5-8(2)6-4-7;3*1-2-4-6-5-3-1;4*1-2-4-5-3-1;2*1-2-5-3-4-1;18*1-2;/h7H,3-6H2,1-2H3;3-6H2,1-2H3;1-6H2;1-6H;1-5H;1-5H2;1-4H,5H2;2*1-4H;2*1-3H;18*1-2H3;1H4
InChIKeyJDISXIKNLWYPEC-UHFFFAOYSA-N
XLogP33.73
TPSA74.67 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001468.73
LogP ≤ 533.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze benzene;cyclohexane;cyclopenta-1,3-diene;cyclopentane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane;furan;methane;1,3-oxazole;pyridine;1,3-thiazole;thiophene with MolForge

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Related Compounds

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
2,4-Dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-5-propan-2-ylpyridine;2-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
CID 157483645
cyclopenta-1,3-diene;1,4-dimethylcyclohexane;1,4-dimethylpiperidine;ethane;furan;methane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3-dioxane;2-methyl-1,3-dithiane;1,3-oxazole;pyridine;3H-pyrrole;1,3-thiazole;thiophene
CID 157484297
cyclopenta-1,3-diene;decakis(2,2-dimethylpropane);furan;1,3-oxazole;pyrazine;pyridazine;pyridine;2H-pyrrole;3H-pyrrole;1,3-thiazole;thiophene
CID 157975810
2-tert-butylcyclopenta-1,3-diene;3-tert-butylfuran;4-tert-butyl-1,3-oxazole;5-tert-butyl-3H-pyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene
CID 158094914
Benzene;furan;1,3-oxazole;pyridine;1,3-thiazole;thiophene
CID 159700665
3-(2,2-Dimethylpropyl)furan;3-(2,2-dimethylpropyl)thiophene;ethane;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)-1,3-oxazole;5-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene
CID 159941197
benzene;cyclohexane;cyclopentane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane;furan;methane;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole;thiophene
CID 160686461
cyclopenta-1,3-diene;docosakis(2,2-dimethylpropane);furan;1,3-oxazole;pyrazine;4H-pyrazole;pyridazine;pyridine;2H-pyrrole;3H-pyrrole;1,3-thiazole;thiophene
CID 160876709
2-Propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene
CID 160899761
Benzene;furan;dodecakis(2-methylpropane);1,3-oxazole;pyridine;1,3-thiazole;thiophene
CID 160945381
2,4-Dimethyl-1,3-thiazole;4-ethylmorpholine;1-ethylpyrrolidine;2-methylfuran;3-methylfuran;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole
CID 161642562

Frequently Asked Questions

What is the IUPAC name of benzene;cyclohexane;cyclopenta-1,3-diene;cyclopentane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane;furan;methane;1,3-oxazole;pyridine;1,3-thiazole;thiophene?
The IUPAC name of benzene;cyclohexane;cyclopenta-1,3-diene;cyclopentane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane;furan;methane;1,3-oxazole;pyridine;1,3-thiazole;thiophene (CID 158883727) is benzene;cyclohexane;cyclopenta-1,3-diene;cyclopentane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane;furan;methane;1,3-oxazole;pyridine;1,3-thiazole;thiophene.
What is the SMILES notation for benzene;cyclohexane;cyclopenta-1,3-diene;cyclopentane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane;furan;methane;1,3-oxazole;pyridine;1,3-thiazole;thiophene?
The canonical SMILES for benzene;cyclohexane;cyclopenta-1,3-diene;cyclopentane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane;furan;methane;1,3-oxazole;pyridine;1,3-thiazole;thiophene is C.C1=CCC=C1.C1CCCC1.C1CCCCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1CCN(C)CC1.CN1CCN(C)CC1.c1ccccc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cocn1.c1cscn1.
What is the InChIKey of benzene;cyclohexane;cyclopenta-1,3-diene;cyclopentane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane;furan;methane;1,3-oxazole;pyridine;1,3-thiazole;thiophene?
The InChIKey is JDISXIKNLWYPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C6H14N2.C6H12.C6H6.C5H5N.C5H10.C5H6.C4H4O.C4H4S.C3H3NO.C3H3NS.18C2H6.CH4/c2*1-7-3-5-8(2)6-4-7;3*1-2-4-6-5-3-1;4*1-2-4-5-3-1;2*1-2-5-3-4-1;18*1-2;/h7H,3-6H2,1-2H3;3-6H2,1-2H3;1-6H2;1-6H;1-5H;1-5H2;1-4H,5H2;2*1-4H;2*1-3H;18*1-2H3;1H4.
What are the key properties of benzene;cyclohexane;cyclopenta-1,3-diene;cyclopentane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane;furan;methane;1,3-oxazole;pyridine;1,3-thiazole;thiophene?
benzene;cyclohexane;cyclopenta-1,3-diene;cyclopentane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane;furan;methane;1,3-oxazole;pyridine;1,3-thiazole;thiophene has a molecular weight of 1468.73 g/mol, XLogP of 33.73, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;cyclohexane;cyclopenta-1,3-diene;cyclopentane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane;furan;methane;1,3-oxazole;pyridine;1,3-thiazole;thiophene is sourced from PubChem (CID 158883727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).