1-benzothiophene;ethane;furan;1H-imidazole;1H-indole;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;thiadiazole;1,2,4-thiadiazole;1,3-thiazole;thiophene

C120H213N27O5S5 — CID 157343910

IUPAC1-benzothiophene;ethane;furan;1H-imidazole;1H-indole;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;thiadiazole;1,2,4-thiadiazole;1,3-thiazole;thiophene
SMILESC1CCNC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CN1CCCCC1.CN1CCNCC1.CN1CCOCC1.c1c[nH]cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2sccc2c1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnccn1.c1cncnc1.c1cnoc1.c1cocn1.c1cscn1.c1csnn1.c1ncon1.c1ncsn1
InChIInChI=1S/C8H7N.C8H6S.C6H13N.C5H12N2.C5H11NO.C5H5N.3C4H4N2.C4H9N.C4H5N.C4H4O.C4H4S.2C3H4N2.2C3H3NO.C3H3NS.C2H2N2O.2C2H2N2S.17C2H6/c2*1-2-4-8-7(3-1)5-6-9-8;1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;1-6-2-4-7-5-3-6;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;4*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;2*1-3-2-5-4-1;1-2-5-4-3-1;17*1-2/h1-6,9H;1-6H;2-6H2,1H3;6H,2-5H2,1H3;2-5H2,1H3;1-5H;3*1-4H;5H,1-4H2;1-5H;2*1-4H;2*1-3H,(H,4,5);3*1-3H;3*1-2H;17*1-2H3
InChIKeyBGSLRQNJKJMQRJ-UHFFFAOYSA-N
MW2274.54 g/mol
LogP34.47
Rot. Bonds

About 1-benzothiophene;ethane;furan;1H-imidazole;1H-indole;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;thiadiazole;1,2,4-thiadiazole;1,3-thiazole;thiophene

1-benzothiophene;ethane;furan;1H-imidazole;1H-indole;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;thiadiazole;1,2,4-thiadiazole;1,3-thiazole;thiophene (PubChem CID 157343910) has the molecular formula C120H213N27O5S5 and a molecular weight of 2274.54 g/mol. Its IUPAC name is 1-benzothiophene;ethane;furan;1H-imidazole;1H-indole;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;thiadiazole;1,2,4-thiadiazole;1,3-thiazole;thiophene.

Molecular Properties

Compound Name1-benzothiophene;ethane;furan;1H-imidazole;1H-indole;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;thiadiazole;1,2,4-thiadiazole;1,3-thiazole;thiophene
PubChem CID157343910
Molecular FormulaC120H213N27O5S5
Molecular Weight2274.54 g/mol
Exact Mass2272.58
IUPAC Name1-benzothiophene;ethane;furan;1H-imidazole;1H-indole;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;thiadiazole;1,2,4-thiadiazole;1,3-thiazole;thiophene
SMILESC1CCNC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CN1CCCCC1.CN1CCNCC1.CN1CCOCC1.c1c[nH]cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2sccc2c1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnccn1.c1cncnc1.c1cnoc1.c1cocn1.c1cscn1.c1csnn1.c1ncon1.c1ncsn1
InChIInChI=1S/C8H7N.C8H6S.C6H13N.C5H12N2.C5H11NO.C5H5N.3C4H4N2.C4H9N.C4H5N.C4H4O.C4H4S.2C3H4N2.2C3H3NO.C3H3NS.C2H2N2O.2C2H2N2S.17C2H6/c2*1-2-4-8-7(3-1)5-6-9-8;1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;1-6-2-4-7-5-3-6;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;4*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;2*1-3-2-5-4-1;1-2-5-4-3-1;17*1-2/h1-6,9H;1-6H;2-6H2,1H3;6H,2-5H2,1H3;2-5H2,1H3;1-5H;3*1-4H;5H,1-4H2;1-5H;2*1-4H;2*1-3H,(H,4,5);3*1-3H;3*1-2H;17*1-2H3
InChIKeyBGSLRQNJKJMQRJ-UHFFFAOYSA-N
XLogP34.47
TPSA390.75 Ų
H-Bond Donors6
H-Bond Acceptors33
Rotatable Bonds
Heavy Atoms157
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002274.54
LogP ≤ 534.47
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1033

Analyze 1-benzothiophene;ethane;furan;1H-imidazole;1H-indole;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;thiadiazole;1,2,4-thiadiazole;1,3-thiazole;thiophene with MolForge

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Related Compounds

2-chloro-3-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,5-dimethyl-3-propan-2-yl-2H-pyrrole;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine
CID 158019428
1,3-benzothiazole;1-benzothiophene;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;5H-imidazo[1,2-b]pyrazole;1H-imidazole;1H-indazole;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridazine;pyridine;pyrido[4,3-b][1,6]naphthyridine;pyrimidine;1H-pyrrole;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,2,4-triazine;1,3,5-triazine;5-(trifluoromethyl)-1H-pyrazole
CID 158082249
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;bis(thieno[2,3-c]pyridine);thiophene;1,3,5-triazine;5-(trifluoromethyl)-1H-pyrazole
CID 158113572
cumene;methane;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;5-propan-2-yl-1,2,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);bis(2-propan-2-ylthiophene);2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole
CID 159939351
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-indazole;5-methyl-4H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine
CID 160409071
1-benzofuran;dibenzothiophene;3,5-dimethyl-1,2-oxazole;N,N-dimethylpyrazin-2-amine;3,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;bis(N-ethyl-N-methyl-1,3-thiazol-2-amine);3-ethylpyridine;2-fluoro-3-methylpyridine;3-fluoro-2-methylpyridine;3-fluoropyridine;4-fluoropyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;1-hydroxypyridin-1-ium;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;4-methoxypyridine;2-methylpyrazine;N-methylpyridin-2-amine;bis(2-methylpyridine);bis(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;2-piperidin-1-yl-1,3-thiazole;1-propylpyrazole;1H-pyrido[3,4-b][1,4]thiazine;1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidine;5-(trifluoromethyl)-1H-pyrazole;4-(trifluoromethyl)pyridine
CID 160487232
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;5-(1,1-difluoroethyl)-1-methylpyrazole;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methoxypyridine;6-methylimidazo[1,2-a]pyridine;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;bis(1H-pyrrolo[3,2-c]pyridine);1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 161043810
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;5-methyl-4H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine
CID 161372099
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine
CID 161651793
1,3-benzothiazole;1-benzothiophene;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrido[4,3-b][1,6]naphthyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine;5-(trifluoromethyl)-1H-pyrazole
CID 161693883
8aH-acridin-9-one;1-benzothiophene;1,3-bis(trifluoromethyl)benzene;dibenzofuran;dibenzothiophene;3,5-diphenyl-1H-pyrazole;2,4-diphenyl-1,3,5-triazine;isoquinoline;1,8-naphthyridine;1,2,4-oxadiazole;1,3-oxazole;1-phenyltriazole;1H-pyrazolo[4,5-b]pyridine;pyridazine;1H-pyrrolo[3,2-c]pyridine;quinoline;3H-quinolin-4-one;2H-tetrazole;1,3,4-thiadiazole;1,3,5-triazine;1H-1,2,4-triazole;2,2,2-trifluoro-1-phenylethanone
CID 162300074
4-[2-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-[4-[4-[4-[3-[4-[5-[1-[5-[5-[4-[3-[4-[5-(1H-indol-2-yl)-3H-benzotriazol-4-yl]-1H-benzimidazol-2-yl]pyrazin-2-yl]pyridazin-3-yl]thiadiazol-4-yl]oxadiazol-4-yl]tetrazol-5-yl]-1H-triazol-4-yl]pyrimidin-2-yl]-2-pyridinyl]-1,2-thiazol-3-yl]-1,3-thiazol-2-yl]-1,2-oxazol-3-yl]-5-(1,3-oxazol-2-yl)-4-(1H-pyrazol-3-yl)-3-(1H-pyrrol-2-yl)-3-thiophen-2-ylpyrrolidin-2-yl]morpholine
CID 91229188

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophene;ethane;furan;1H-imidazole;1H-indole;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;thiadiazole;1,2,4-thiadiazole;1,3-thiazole;thiophene?
The IUPAC name of 1-benzothiophene;ethane;furan;1H-imidazole;1H-indole;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;thiadiazole;1,2,4-thiadiazole;1,3-thiazole;thiophene (CID 157343910) is 1-benzothiophene;ethane;furan;1H-imidazole;1H-indole;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;thiadiazole;1,2,4-thiadiazole;1,3-thiazole;thiophene.
What is the SMILES notation for 1-benzothiophene;ethane;furan;1H-imidazole;1H-indole;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;thiadiazole;1,2,4-thiadiazole;1,3-thiazole;thiophene?
The canonical SMILES for 1-benzothiophene;ethane;furan;1H-imidazole;1H-indole;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;thiadiazole;1,2,4-thiadiazole;1,3-thiazole;thiophene is C1CCNC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CN1CCCCC1.CN1CCNCC1.CN1CCOCC1.c1c[nH]cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2sccc2c1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnccn1.c1cncnc1.c1cnoc1.c1cocn1.c1cscn1.c1csnn1.c1ncon1.c1ncsn1.
What is the InChIKey of 1-benzothiophene;ethane;furan;1H-imidazole;1H-indole;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;thiadiazole;1,2,4-thiadiazole;1,3-thiazole;thiophene?
The InChIKey is BGSLRQNJKJMQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.C8H6S.C6H13N.C5H12N2.C5H11NO.C5H5N.3C4H4N2.C4H9N.C4H5N.C4H4O.C4H4S.2C3H4N2.2C3H3NO.C3H3NS.C2H2N2O.2C2H2N2S.17C2H6/c2*1-2-4-8-7(3-1)5-6-9-8;1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;1-6-2-4-7-5-3-6;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;4*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;2*1-3-2-5-4-1;1-2-5-4-3-1;17*1-2/h1-6,9H;1-6H;2-6H2,1H3;6H,2-5H2,1H3;2-5H2,1H3;1-5H;3*1-4H;5H,1-4H2;1-5H;2*1-4H;2*1-3H,(H,4,5);3*1-3H;3*1-2H;17*1-2H3.
What are the key properties of 1-benzothiophene;ethane;furan;1H-imidazole;1H-indole;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;thiadiazole;1,2,4-thiadiazole;1,3-thiazole;thiophene?
1-benzothiophene;ethane;furan;1H-imidazole;1H-indole;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;thiadiazole;1,2,4-thiadiazole;1,3-thiazole;thiophene has a molecular weight of 2274.54 g/mol, XLogP of 34.47, 0 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophene;ethane;furan;1H-imidazole;1H-indole;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;thiadiazole;1,2,4-thiadiazole;1,3-thiazole;thiophene is sourced from PubChem (CID 157343910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).