1,3-benzothiazole;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine

C59H41N13S9 — CID 157490741

IUPAC1,3-benzothiazole;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine
SMILESc1cc2ccsc2cn1.c1cc2ncsc2cn1.c1cc2sccc2cn1.c1cc2scnc2cn1.c1ccc2scnc2c1.c1cnc2ccsc2c1.c1cnc2ncsc2c1.c1cnc2sccc2c1.c1cnc2scnc2c1
InChIInChI=1S/5C7H5NS.4C6H4N2S/c1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;1-2-7-6(8-4-1)3-5-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;1-2-7-3-5-6(1)9-4-8-5;1-2-7-3-6-5(1)8-4-9-6;1-2-5-6(7-3-1)8-4-9-5;1-2-5-6(7-3-1)9-4-8-5/h5*1-5H;4*1-4H
InChIKeyBXFXYJMXCADQLN-UHFFFAOYSA-N
MW1220.67 g/mol
LogP18.25
Rot. Bonds

About 1,3-benzothiazole;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine

1,3-benzothiazole;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine (PubChem CID 157490741) has the molecular formula C59H41N13S9 and a molecular weight of 1220.67 g/mol. Its IUPAC name is 1,3-benzothiazole;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine.

Molecular Properties

Compound Name1,3-benzothiazole;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine
PubChem CID157490741
Molecular FormulaC59H41N13S9
Molecular Weight1220.67 g/mol
Exact Mass1219.11
IUPAC Name1,3-benzothiazole;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine
SMILESc1cc2ccsc2cn1.c1cc2ncsc2cn1.c1cc2sccc2cn1.c1cc2scnc2cn1.c1ccc2scnc2c1.c1cnc2ccsc2c1.c1cnc2ncsc2c1.c1cnc2sccc2c1.c1cnc2scnc2c1
InChIInChI=1S/5C7H5NS.4C6H4N2S/c1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;1-2-7-6(8-4-1)3-5-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;1-2-7-3-5-6(1)9-4-8-5;1-2-7-3-6-5(1)8-4-9-6;1-2-5-6(7-3-1)8-4-9-5;1-2-5-6(7-3-1)9-4-8-5/h5*1-5H;4*1-4H
InChIKeyBXFXYJMXCADQLN-UHFFFAOYSA-N
XLogP18.25
TPSA167.57 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001220.67
LogP ≤ 518.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 1,3-benzothiazole;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine with MolForge

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Launch Full Analysis

Related Compounds

N-[(3R)-pyrrolidin-3-yl]-2-[2-[[4-[4-[[(3R)-pyrrolidin-3-yl]amino]thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]sulfanyl]-4-pyridinyl]thieno[3,2-d]pyrimidin-4-amine
CID 89596569
2,3-Diphenylindazole;1-fluoro-2-phenylimidazo[1,2-a]quinoline;2-[2-fluoro-4-(trifluoromethyl)phenyl]pyridine;2-phenyl-1,3-benzothiazole;2-phenylimidazo[1,2-a]pyridine;1-phenylindazole;2-phenylindazole;1-phenylisoquinoline;3-phenylisoquinoline;2-phenylpyrazolo[1,5-a]pyridine;2-phenylpyridine;2-phenyl-3-(trifluoromethyl)imidazo[1,2-a]pyridine;2-thiophen-2-ylpyridine
CID 158435881
1-(4H-imidazol-2-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[(1-methylimidazol-2-yl)methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-(2H-pyrrol-4-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-(3H-pyrrol-5-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile
CID 160336757
ethane;2-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;2-(1-oxidopyridin-1-ium-2-yl)-3-propan-2-ylimidazo[4,5-b]pyridine;2-(1,1,2,2,2-pentafluoroethyl)-3-propan-2-ylimidazo[4,5-b]pyridine;2-phenyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione;2-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)-1,3-thiazole;3-propan-2-yl-2-pyridin-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-2-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 160437943
6-Tert-butyl-3-(4,5-dimethylthiophen-2-yl)-2-propan-2-ylimidazo[4,5-b]pyridine;2-ethyl-3-(4-methylthiophen-2-yl)imidazo[4,5-b]pyridine;2-ethyl-6-methyl-3-thiophen-2-ylimidazo[4,5-b]pyridine;2-ethyl-3-(5-methylthiophen-2-yl)-6-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-3-(4-methylthiophen-2-yl)imidazo[4,5-b]pyridine;2-methyl-3-(5-methylthiophen-2-yl)-6-phenylimidazo[4,5-b]pyridine;6-methyl-3-(3-phenylphenyl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine;3-(5-methylthiophen-2-yl)-6-propan-2-ylimidazo[4,5-b]pyridine;6-phenyl-3-thiophen-2-ylimidazo[4,5-b]pyridine
CID 161531223
2-{3-[4,6-Bis-(4-hexyl-thiophen-2-yl)-pyrimidin-2-yl]-phenyl}-thiazolo[5,4-b]pyridine
CID 132427504
2-{4-[4,6-Bis-(4-hexylthiophen-2-yl)-pyrimidin-2-yl]-phenyl}-thiazolo[5,4-b]pyridine
CID 132427513
N-(1-benzylpiperidin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)-9-thiophen-3-ylpurin-6-amine
CID 117083905
2-[3-([1,3]Thiazolo[4,5-b]pyrazin-2-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[4,5-b]pyrazine
CID 23391303
2-[1-Pyridin-3-yl-2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)imidazol-4-yl]-1,3-benzothiazole
CID 25030939
1-(4-(1,4-di(thiazol-2-yl)-1H-imidazol-2-yl)phenyl)-1H-pyrrolo[2,3-b)pyridine
CID 25031194
2-[1-Pyridin-3-yl-2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)imidazol-4-yl]-1,3-thiazole
CID 25031548

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazole;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine?
The IUPAC name of 1,3-benzothiazole;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine (CID 157490741) is 1,3-benzothiazole;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine.
What is the SMILES notation for 1,3-benzothiazole;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine?
The canonical SMILES for 1,3-benzothiazole;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine is c1cc2ccsc2cn1.c1cc2ncsc2cn1.c1cc2sccc2cn1.c1cc2scnc2cn1.c1ccc2scnc2c1.c1cnc2ccsc2c1.c1cnc2ncsc2c1.c1cnc2sccc2c1.c1cnc2scnc2c1.
What is the InChIKey of 1,3-benzothiazole;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine?
The InChIKey is BXFXYJMXCADQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/5C7H5NS.4C6H4N2S/c1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;1-2-7-6(8-4-1)3-5-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;1-2-7-3-5-6(1)9-4-8-5;1-2-7-3-6-5(1)8-4-9-6;1-2-5-6(7-3-1)8-4-9-5;1-2-5-6(7-3-1)9-4-8-5/h5*1-5H;4*1-4H.
What are the key properties of 1,3-benzothiazole;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine?
1,3-benzothiazole;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine has a molecular weight of 1220.67 g/mol, XLogP of 18.25, 0 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazole;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine is sourced from PubChem (CID 157490741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).