bis(2,5-dimethylfuran);2,5-dimethyl-1H-pyrrole;bis(2,5-dimethylthiophene);ethane;1,2,5-trimethylpyrrole

C41H64N2O2S2 — CID 158574103

IUPACbis(2,5-dimethylfuran);2,5-dimethyl-1H-pyrrole;bis(2,5-dimethylthiophene);ethane;1,2,5-trimethylpyrrole
SMILESCC.CC.Cc1ccc(C)[nH]1.Cc1ccc(C)n1C.Cc1ccc(C)o1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccc(C)s1
InChIInChI=1S/C7H11N.C6H9N.2C6H8O.2C6H8S.2C2H6/c1-6-4-5-7(2)8(6)3;5*1-5-3-4-6(2)7-5;2*1-2/h4-5H,1-3H3;3-4,7H,1-2H3;4*3-4H,1-2H3;2*1-2H3
InChIKeyHSLGUHTXTBPBTA-UHFFFAOYSA-N
MW681.11 g/mol
LogP13.85
Rot. Bonds

About bis(2,5-dimethylfuran);2,5-dimethyl-1H-pyrrole;bis(2,5-dimethylthiophene);ethane;1,2,5-trimethylpyrrole

bis(2,5-dimethylfuran);2,5-dimethyl-1H-pyrrole;bis(2,5-dimethylthiophene);ethane;1,2,5-trimethylpyrrole (PubChem CID 158574103) has the molecular formula C41H64N2O2S2 and a molecular weight of 681.11 g/mol. Its IUPAC name is bis(2,5-dimethylfuran);2,5-dimethyl-1H-pyrrole;bis(2,5-dimethylthiophene);ethane;1,2,5-trimethylpyrrole.

Molecular Properties

Compound Namebis(2,5-dimethylfuran);2,5-dimethyl-1H-pyrrole;bis(2,5-dimethylthiophene);ethane;1,2,5-trimethylpyrrole
PubChem CID158574103
Molecular FormulaC41H64N2O2S2
Molecular Weight681.11 g/mol
Exact Mass680.44
IUPAC Namebis(2,5-dimethylfuran);2,5-dimethyl-1H-pyrrole;bis(2,5-dimethylthiophene);ethane;1,2,5-trimethylpyrrole
SMILESCC.CC.Cc1ccc(C)[nH]1.Cc1ccc(C)n1C.Cc1ccc(C)o1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccc(C)s1
InChIInChI=1S/C7H11N.C6H9N.2C6H8O.2C6H8S.2C2H6/c1-6-4-5-7(2)8(6)3;5*1-5-3-4-6(2)7-5;2*1-2/h4-5H,1-3H3;3-4,7H,1-2H3;4*3-4H,1-2H3;2*1-2H3
InChIKeyHSLGUHTXTBPBTA-UHFFFAOYSA-N
XLogP13.85
TPSA47.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.11
LogP ≤ 513.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze bis(2,5-dimethylfuran);2,5-dimethyl-1H-pyrrole;bis(2,5-dimethylthiophene);ethane;1,2,5-trimethylpyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1-dimethyl-2-[N'-[2-(5-methylfuran-2-yl)ethyl]carbamimidoyl]guanidine;1,1-dimethyl-2-[N'-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]carbamimidoyl]guanidine;1,1-dimethyl-2-[N'-[2-(5-methylthiophen-2-yl)ethyl]carbamimidoyl]guanidine
CID 145606809
2-[[5-[(5-iodothiophen-2-yl)methyliodanuidyl]furan-2-yl]methyliodanuidyl]-5-methyl-1H-pyrrole
CID 148137056
2,5-dimethylfuran;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene
CID 157138905
bis(2,3-di(propan-2-yl)furan);3,4-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)-1H-pyrrole);bis(2,3-di(propan-2-yl)thiophene);3,4-di(propan-2-yl)thiophene;ethane
CID 157371707
2,5-dimethylfuran;2,5-dimethyl-1H-pyrrole;2,5-dimethyl-1H-silole;2,5-dimethylthiophene
CID 157700340
bis(2,4-dimethylfuran);bis(2,4-dimethyl-1H-pyrrole);bis(2,4-dimethylthiophene);1,3-xylene
CID 157715550
bis(2,3-dimethylfuran);2,4-dimethylfuran;2,5-dimethylfuran;3,4-dimethylfuran;bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-1H-pyrrole;bis(2,3-dimethylthiophene);3,4-dimethylthiophene
CID 157852963
3-tert-butylfuran;3-tert-butyl-1H-pyrrole;3-tert-butylthiophene;2-propan-2-ylfuran;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene
CID 157884092
CID 158114795
CID 158114795
3-hexyl-2-[4-hexyl-5-[4-hexyl-5-(4-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-methylthiophene;2-methyl-5-[(E)-2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]-1H-pyrrole;2-methyl-5-[(E)-2-(5-methylfuran-2-yl)ethenyl]furan;2-methyl-5-[4-[5-(4-methylphenyl)thiophen-2-yl]phenyl]thiophene;2-methyl-5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]thiophene;2-methyl-5-[4-(5-methylthiophen-2-yl)phenyl]thiophene;2-methyl-5-[(E)-prop-1-enyl]furan;2-methyl-5-[(E)-prop-1-enyl]-1H-pyrrole
CID 158121633
2-methylfuran;3-methylfuran;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene
CID 158400531
1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylfuran;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;1,4-xylene
CID 158472725

Frequently Asked Questions

What is the IUPAC name of bis(2,5-dimethylfuran);2,5-dimethyl-1H-pyrrole;bis(2,5-dimethylthiophene);ethane;1,2,5-trimethylpyrrole?
The IUPAC name of bis(2,5-dimethylfuran);2,5-dimethyl-1H-pyrrole;bis(2,5-dimethylthiophene);ethane;1,2,5-trimethylpyrrole (CID 158574103) is bis(2,5-dimethylfuran);2,5-dimethyl-1H-pyrrole;bis(2,5-dimethylthiophene);ethane;1,2,5-trimethylpyrrole.
What is the SMILES notation for bis(2,5-dimethylfuran);2,5-dimethyl-1H-pyrrole;bis(2,5-dimethylthiophene);ethane;1,2,5-trimethylpyrrole?
The canonical SMILES for bis(2,5-dimethylfuran);2,5-dimethyl-1H-pyrrole;bis(2,5-dimethylthiophene);ethane;1,2,5-trimethylpyrrole is CC.CC.Cc1ccc(C)[nH]1.Cc1ccc(C)n1C.Cc1ccc(C)o1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccc(C)s1.
What is the InChIKey of bis(2,5-dimethylfuran);2,5-dimethyl-1H-pyrrole;bis(2,5-dimethylthiophene);ethane;1,2,5-trimethylpyrrole?
The InChIKey is HSLGUHTXTBPBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N.C6H9N.2C6H8O.2C6H8S.2C2H6/c1-6-4-5-7(2)8(6)3;5*1-5-3-4-6(2)7-5;2*1-2/h4-5H,1-3H3;3-4,7H,1-2H3;4*3-4H,1-2H3;2*1-2H3.
What are the key properties of bis(2,5-dimethylfuran);2,5-dimethyl-1H-pyrrole;bis(2,5-dimethylthiophene);ethane;1,2,5-trimethylpyrrole?
bis(2,5-dimethylfuran);2,5-dimethyl-1H-pyrrole;bis(2,5-dimethylthiophene);ethane;1,2,5-trimethylpyrrole has a molecular weight of 681.11 g/mol, XLogP of 13.85, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,5-dimethylfuran);2,5-dimethyl-1H-pyrrole;bis(2,5-dimethylthiophene);ethane;1,2,5-trimethylpyrrole is sourced from PubChem (CID 158574103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).