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

C90H193N7O2S2 — CID 160686461

IUPACbenzene;cyclohexane;cyclopentane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane;furan;methane;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole;thiophene
SMILESC.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.c1cc[nH]c1.c1ccccc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cocn1.c1cscn1
InChIInChI=1S/C7H15N.C6H14N2.C6H12.C6H6.C5H5N.C5H10.C4H5N.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;1-5H;2*1-4H;2*1-3H;18*1-2H3;1H4
InChIKeyROVDCMOAQNBJST-UHFFFAOYSA-N
MW1469.71 g/mol
LogP33.24
Rot. Bonds

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

benzene;cyclohexane;cyclopentane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane;furan;methane;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole;thiophene (PubChem CID 160686461) has the molecular formula C90H193N7O2S2 and a molecular weight of 1469.71 g/mol. Its IUPAC name is benzene;cyclohexane;cyclopentane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane;furan;methane;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole;thiophene.

Molecular Properties

Compound Namebenzene;cyclohexane;cyclopentane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane;furan;methane;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole;thiophene
PubChem CID160686461
Molecular FormulaC90H193N7O2S2
Molecular Weight1469.71 g/mol
Exact Mass1468.47
IUPAC Namebenzene;cyclohexane;cyclopentane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane;furan;methane;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole;thiophene
SMILESC.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.c1cc[nH]c1.c1ccccc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cocn1.c1cscn1
InChIInChI=1S/C7H15N.C6H14N2.C6H12.C6H6.C5H5N.C5H10.C4H5N.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;1-5H;2*1-4H;2*1-3H;18*1-2H3;1H4
InChIKeyROVDCMOAQNBJST-UHFFFAOYSA-N
XLogP33.24
TPSA90.46 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001469.71
LogP ≤ 533.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze benzene;cyclohexane;cyclopentane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane;furan;methane;1,3-oxazole;pyridine;1H-pyrrole;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

Frequently Asked Questions

What is the IUPAC name of benzene;cyclohexane;cyclopentane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane;furan;methane;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole;thiophene?
The IUPAC name of benzene;cyclohexane;cyclopentane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane;furan;methane;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole;thiophene (CID 160686461) is benzene;cyclohexane;cyclopentane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane;furan;methane;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole;thiophene.
What is the SMILES notation for benzene;cyclohexane;cyclopentane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane;furan;methane;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole;thiophene?
The canonical SMILES for benzene;cyclohexane;cyclopentane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane;furan;methane;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole;thiophene is C.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.c1cc[nH]c1.c1ccccc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cocn1.c1cscn1.
What is the InChIKey of benzene;cyclohexane;cyclopentane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane;furan;methane;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole;thiophene?
The InChIKey is ROVDCMOAQNBJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C6H14N2.C6H12.C6H6.C5H5N.C5H10.C4H5N.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;1-5H;2*1-4H;2*1-3H;18*1-2H3;1H4.
What are the key properties of benzene;cyclohexane;cyclopentane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane;furan;methane;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole;thiophene?
benzene;cyclohexane;cyclopentane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane;furan;methane;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole;thiophene has a molecular weight of 1469.71 g/mol, XLogP of 33.24, 0 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;cyclohexane;cyclopentane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane;furan;methane;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole;thiophene is sourced from PubChem (CID 160686461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).