1-benzothiophene;furan;1H-imidazole;1H-indole;piperidine;1H-pyrrole;pyrrolidine;1,3-thiazole;thiophene

C43H53N7OS3 — CID 158393817

IUPAC1-benzothiophene;furan;1H-imidazole;1H-indole;piperidine;1H-pyrrole;pyrrolidine;1,3-thiazole;thiophene
SMILESC1CCNC1.C1CCNCC1.c1c[nH]cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2sccc2c1.c1ccoc1.c1ccsc1.c1cscn1
InChIInChI=1S/C8H7N.C8H6S.C5H11N.C4H9N.C4H5N.C4H4O.C4H4S.C3H4N2.C3H3NS/c2*1-2-4-8-7(3-1)5-6-9-8;1-2-4-6-5-3-1;4*1-2-4-5-3-1;2*1-2-5-3-4-1/h1-6,9H;1-6H;6H,1-5H2;5H,1-4H2;1-5H;2*1-4H;1-3H,(H,4,5);1-3H
InChIKeyGXHIRZPTGFWCKW-UHFFFAOYSA-N
MW780.15 g/mol
LogP11.79
Rot. Bonds

About 1-benzothiophene;furan;1H-imidazole;1H-indole;piperidine;1H-pyrrole;pyrrolidine;1,3-thiazole;thiophene

1-benzothiophene;furan;1H-imidazole;1H-indole;piperidine;1H-pyrrole;pyrrolidine;1,3-thiazole;thiophene (PubChem CID 158393817) has the molecular formula C43H53N7OS3 and a molecular weight of 780.15 g/mol. Its IUPAC name is 1-benzothiophene;furan;1H-imidazole;1H-indole;piperidine;1H-pyrrole;pyrrolidine;1,3-thiazole;thiophene.

Molecular Properties

Compound Name1-benzothiophene;furan;1H-imidazole;1H-indole;piperidine;1H-pyrrole;pyrrolidine;1,3-thiazole;thiophene
PubChem CID158393817
Molecular FormulaC43H53N7OS3
Molecular Weight780.15 g/mol
Exact Mass779.35
IUPAC Name1-benzothiophene;furan;1H-imidazole;1H-indole;piperidine;1H-pyrrole;pyrrolidine;1,3-thiazole;thiophene
SMILESC1CCNC1.C1CCNCC1.c1c[nH]cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2sccc2c1.c1ccoc1.c1ccsc1.c1cscn1
InChIInChI=1S/C8H7N.C8H6S.C5H11N.C4H9N.C4H5N.C4H4O.C4H4S.C3H4N2.C3H3NS/c2*1-2-4-8-7(3-1)5-6-9-8;1-2-4-6-5-3-1;4*1-2-4-5-3-1;2*1-2-5-3-4-1/h1-6,9H;1-6H;6H,1-5H2;5H,1-4H2;1-5H;2*1-4H;1-3H,(H,4,5);1-3H
InChIKeyGXHIRZPTGFWCKW-UHFFFAOYSA-N
XLogP11.79
TPSA110.35 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.15
LogP ≤ 511.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Related Compounds

1,4-dimethyl-3,6-dihydro-2H-pyridine;3,4-dimethylfuran;3,4-dimethylthiophene;6-methyl-1H-benzimidazole;1-(3-methylindol-1-yl)ethanone
CID 53850154
1H-benzimidazole;1-benzofuran;1-benzothiophene;1H-indole
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2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-6-(1H-indol-2-yl)-5-pyrrolidin-1-yl-3-thiophen-2-yl-2H-pyridin-4-yl]-1,3-thiazole
CID 91088625
2-[2-[[4-(furan-2-ylmethylsulfanyl)-3-methyl-2-pyridinyl]methylsulfanyl]-1H-benzimidazol-4-yl]-N,N-dimethylethanamine
CID 139756098
2-[3-(1-benzofuran-2-yl)-1-(1H-imidazol-2-yl)-4-pyrrolidin-1-yl-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-2H-pyridin-2-yl]-1,3-benzothiazole
CID 140992395
1-(1H-benzimidazol-2-yl)-1-(furan-2-yl)-1-(1H-imidazol-2-yl)-2-(1H-indol-2-yl)-2-pyridin-2-yl-1-pyrimidin-2-yl-4-quinolin-2-yl-5-thiophen-2-yl-3H-1,3-thiazole
CID 141169766
1-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-phenyl-2-(2-phenylphenyl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazole
CID 141279407
2-[5-(1-benzofuran-2-yl)-6-(1-benzothiophen-2-yl)-6-(1H-imidazol-2-yl)-2-(1H-indol-2-yl)-3,4-bis(1H-pyrrol-2-yl)cyclohexa-1,3-dien-1-yl]-1,3-thiazole
CID 141303197
1-(furan-2-yl)-4-(1H-imidazol-2-yl)-1,2-bis(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,3-thiazole
CID 141327986
2-[2-(1H-benzimidazol-2-yl)-3-(2-benzofuran-1-yl)-6-(1-benzothiophen-2-yl)-5-(1H-indol-2-yl)-4-(2H-isoindol-1-yl)phenyl]-1,3-thiazole
CID 141427138
1H-benzimidazole;1,3-benzothiazole;furan;1,3-oxazole;pyrazine;pyridine;pyrimidine;1H-pyrrole;quinoline;1,3-thiazole;thiophene
CID 157251765
1-benzofuran;1H-imidazole;methane;tetrakis(2-methylpropane);1-propan-2-ylimidazole;1-propan-2-ylindole;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;pyridine;1H-pyrrole
CID 157261225

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophene;furan;1H-imidazole;1H-indole;piperidine;1H-pyrrole;pyrrolidine;1,3-thiazole;thiophene?
The IUPAC name of 1-benzothiophene;furan;1H-imidazole;1H-indole;piperidine;1H-pyrrole;pyrrolidine;1,3-thiazole;thiophene (CID 158393817) is 1-benzothiophene;furan;1H-imidazole;1H-indole;piperidine;1H-pyrrole;pyrrolidine;1,3-thiazole;thiophene.
What is the SMILES notation for 1-benzothiophene;furan;1H-imidazole;1H-indole;piperidine;1H-pyrrole;pyrrolidine;1,3-thiazole;thiophene?
The canonical SMILES for 1-benzothiophene;furan;1H-imidazole;1H-indole;piperidine;1H-pyrrole;pyrrolidine;1,3-thiazole;thiophene is C1CCNC1.C1CCNCC1.c1c[nH]cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2sccc2c1.c1ccoc1.c1ccsc1.c1cscn1.
What is the InChIKey of 1-benzothiophene;furan;1H-imidazole;1H-indole;piperidine;1H-pyrrole;pyrrolidine;1,3-thiazole;thiophene?
The InChIKey is GXHIRZPTGFWCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.C8H6S.C5H11N.C4H9N.C4H5N.C4H4O.C4H4S.C3H4N2.C3H3NS/c2*1-2-4-8-7(3-1)5-6-9-8;1-2-4-6-5-3-1;4*1-2-4-5-3-1;2*1-2-5-3-4-1/h1-6,9H;1-6H;6H,1-5H2;5H,1-4H2;1-5H;2*1-4H;1-3H,(H,4,5);1-3H.
What are the key properties of 1-benzothiophene;furan;1H-imidazole;1H-indole;piperidine;1H-pyrrole;pyrrolidine;1,3-thiazole;thiophene?
1-benzothiophene;furan;1H-imidazole;1H-indole;piperidine;1H-pyrrole;pyrrolidine;1,3-thiazole;thiophene has a molecular weight of 780.15 g/mol, XLogP of 11.79, 0 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophene;furan;1H-imidazole;1H-indole;piperidine;1H-pyrrole;pyrrolidine;1,3-thiazole;thiophene is sourced from PubChem (CID 158393817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).