5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]thieno[2,3-b]pyridine-3-carboxamide;cyclohexyl 5-[2-(methylcarbamoylamino)-1,3-benzothiazol-6-yl]thieno[2,3-b]pyridine-3-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate

C95H91N17O11S6 — CID 165104792

IUPAC5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]thieno[2,3-b]pyridine-3-carboxamide;cyclohexyl 5-[2-(methylcarbamoylamino)-1,3-benzothiazol-6-yl]thieno[2,3-b]pyridine-3-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate
SMILESCC(=O)Nc1nc2ccc(-c3cnc4scc(C(=O)NC5CCCCC5)c4c3)cc2s1.CNC(=O)Nc1nc2ccc(-c3cnc4scc(C(=O)OC5CCCCC5)c4c3)cc2s1.O=C(NC1CCCCC1)c1csc2ncc(-c3ccc4nc(NC(=O)C5CC5)sc4c3)cc12.O=C(Nc1cn2cc(-c3cnc4ccn(C(=O)OC5CCOCC5)c4c3)ccc2n1)C1CC1
InChIInChI=1S/C25H24N4O2S2.C24H23N5O4.C23H22N4O3S2.C23H22N4O2S2/c30-22(14-6-7-14)29-25-28-20-9-8-15(11-21(20)33-25)16-10-18-19(13-32-24(18)26-12-16)23(31)27-17-4-2-1-3-5-17;30-23(15-1-2-15)27-21-14-28-13-16(3-4-22(28)26-21)17-11-20-19(25-12-17)5-8-29(20)24(31)33-18-6-9-32-10-7-18;1-24-22(29)27-23-26-18-8-7-13(10-19(18)32-23)14-9-16-17(12-31-20(16)25-11-14)21(28)30-15-5-3-2-4-6-15;1-13(28)25-23-27-19-8-7-14(10-20(19)31-23)15-9-17-18(12-30-22(17)24-11-15)21(29)26-16-5-3-2-4-6-16/h8-14,17H,1-7H2,(H,27,31)(H,28,29,30);3-5,8,11-15,18H,1-2,6-7,9-10H2,(H,27,30);7-12,15H,2-6H2,1H3,(H2,24,26,27,29);7-12,16H,2-6H2,1H3,(H,26,29)(H,25,27,28)
InChIKeyYYEXMUQUEPQFHK-UHFFFAOYSA-N
MW1839.28 g/mol
LogP21.25
Rot. Bonds17

About 5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]thieno[2,3-b]pyridine-3-carboxamide;cyclohexyl 5-[2-(methylcarbamoylamino)-1,3-benzothiazol-6-yl]thieno[2,3-b]pyridine-3-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate

5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]thieno[2,3-b]pyridine-3-carboxamide;cyclohexyl 5-[2-(methylcarbamoylamino)-1,3-benzothiazol-6-yl]thieno[2,3-b]pyridine-3-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate (PubChem CID 165104792) has the molecular formula C95H91N17O11S6 and a molecular weight of 1839.28 g/mol. Its IUPAC name is 5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]thieno[2,3-b]pyridine-3-carboxamide;cyclohexyl 5-[2-(methylcarbamoylamino)-1,3-benzothiazol-6-yl]thieno[2,3-b]pyridine-3-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate.

Molecular Properties

Compound Name5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]thieno[2,3-b]pyridine-3-carboxamide;cyclohexyl 5-[2-(methylcarbamoylamino)-1,3-benzothiazol-6-yl]thieno[2,3-b]pyridine-3-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate
PubChem CID165104792
Molecular FormulaC95H91N17O11S6
Molecular Weight1839.28 g/mol
Exact Mass1837.54
IUPAC Name5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]thieno[2,3-b]pyridine-3-carboxamide;cyclohexyl 5-[2-(methylcarbamoylamino)-1,3-benzothiazol-6-yl]thieno[2,3-b]pyridine-3-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate
SMILESCC(=O)Nc1nc2ccc(-c3cnc4scc(C(=O)NC5CCCCC5)c4c3)cc2s1.CNC(=O)Nc1nc2ccc(-c3cnc4scc(C(=O)OC5CCCCC5)c4c3)cc2s1.O=C(NC1CCCCC1)c1csc2ncc(-c3ccc4nc(NC(=O)C5CC5)sc4c3)cc12.O=C(Nc1cn2cc(-c3cnc4ccn(C(=O)OC5CCOCC5)c4c3)ccc2n1)C1CC1
InChIInChI=1S/C25H24N4O2S2.C24H23N5O4.C23H22N4O3S2.C23H22N4O2S2/c30-22(14-6-7-14)29-25-28-20-9-8-15(11-21(20)33-25)16-10-18-19(13-32-24(18)26-12-16)23(31)27-17-4-2-1-3-5-17;30-23(15-1-2-15)27-21-14-28-13-16(3-4-22(28)26-21)17-11-20-19(25-12-17)5-8-29(20)24(31)33-18-6-9-32-10-7-18;1-24-22(29)27-23-26-18-8-7-13(10-19(18)32-23)14-9-16-17(12-31-20(16)25-11-14)21(28)30-15-5-3-2-4-6-15;1-13(28)25-23-27-19-8-7-14(10-20(19)31-23)15-9-17-18(12-30-22(17)24-11-15)21(29)26-16-5-3-2-4-6-16/h8-14,17H,1-7H2,(H,27,31)(H,28,29,30);3-5,8,11-15,18H,1-2,6-7,9-10H2,(H,27,30);7-12,15H,2-6H2,1H3,(H2,24,26,27,29);7-12,16H,2-6H2,1H3,(H,26,29)(H,25,27,28)
InChIKeyYYEXMUQUEPQFHK-UHFFFAOYSA-N
XLogP21.25
TPSA360.92 Ų
H-Bond Donors7
H-Bond Acceptors27
Rotatable Bonds17
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001839.28
LogP ≤ 521.25
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1027

Analyze 5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]thieno[2,3-b]pyridine-3-carboxamide;cyclohexyl 5-[2-(methylcarbamoylamino)-1,3-benzothiazol-6-yl]thieno[2,3-b]pyridine-3-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate with MolForge

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Related Compounds

3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(4-imidazol-1-ylphenyl)benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-(2H-pyrrol-5-yl)phenyl]benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-(3H-1,2,4-triazol-5-yl)phenyl]benzamide;3-[2-(cyclopropylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;ethyl 3-[2-(cyclopropylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzoate;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-(pyridin-2-ylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide;3-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 158684191
Cyclopropylmethyl 6-[2-(methylcarbamoylamino)-1,3-benzothiazol-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;(4,4-difluorocyclohexyl) 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(methylcarbamoylamino)imidazo[1,2-a]pyridin-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(methylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate
CID 159257352
5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(4,4-difluorocyclohexyl)thieno[2,3-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-ylthieno[2,3-b]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-N-(oxan-4-yl)thieno[2,3-b]pyridine-3-carboxamide;ethyl N-[6-[3-(cyclohexylcarbamoyl)thieno[2,3-b]pyridin-5-yl]-1,3-benzothiazol-2-yl]carbamate
CID 164993116
Cyclohexyl 6-(2-acetamido-1,3-benzothiazol-6-yl)imidazo[4,5-b]pyridine-1-carboxylate;cyclohexyl 6-(2-acetamido-1,3-benzothiazol-6-yl)pyrrolo[3,2-b]pyridine-1-carboxylate;(4,4-difluorocyclohexyl) 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]pyrrolo[3,2-b]pyridine-1-carboxylate
CID 165039423
3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N,N-dimethylbenzamide;1-[3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]ethanol;[3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methanol;[3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;2-butylsulfinyl-4-(2-methyl-1H-imidazol-5-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methyl 3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoate
CID 157064373
cyclohexyl 7-(2-acetamido-1,3-benzothiazol-6-yl)-4-cyclopropyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate;cyclohexyl 7-(2-acetamido-1,3-benzothiazol-6-yl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate;cyclohexyl 7-(2-acetamido-1,3-benzothiazol-6-yl)-4-ethyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-(2-acetamido-1,3-benzothiazol-6-yl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate;oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 157194932
3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N,N-dimethylbenzamide;2-butylsulfinyl-4,6-bis(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(1-methylimidazol-2-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methyl 3-[3-amino-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoate
CID 157319859
3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N-[2-(dimethylamino)ethyl]benzamide;1-[3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]-4-hydroxybutan-1-one;[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methanol;[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl acetate;1-[3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]pent-4-en-1-one;2-butylsulfinyl-4-[4-[(dimethylamino)methyl]phenyl]-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(3-methyl-2-propan-2-ylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methane
CID 157337325
3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-7-carboxamide;N-(2-aminophenyl)-4-[[4-[2-methyl-7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;methyl 3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-2-methylimidazo[1,2-a]pyridine-7-carboxylate;2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridine-7-carboxylic acid;2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-7-carboxamide;methyl 2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridine-7-carboxylate;N-methyl-4-[[4-[2-methyl-7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide
CID 157436734
3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoic acid;3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N,N-dimethylbenzamide;[3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methanol;[3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methyl 3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoate
CID 157493581
3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N,N-dimethylbenzamide;[3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methanol;2-butylsulfinyl-4,6-bis(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(1,5-dimethylimidazol-2-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(3-methyl-1H-imidazol-3-ium-2-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methyl 3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoate
CID 157913964
3-Amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylic acid;2-butylsulfinyl-4,6-bis(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(1-methylimidazol-2-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;ethyl 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylate;4-phenyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 157984141

Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]thieno[2,3-b]pyridine-3-carboxamide;cyclohexyl 5-[2-(methylcarbamoylamino)-1,3-benzothiazol-6-yl]thieno[2,3-b]pyridine-3-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate?
The IUPAC name of 5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]thieno[2,3-b]pyridine-3-carboxamide;cyclohexyl 5-[2-(methylcarbamoylamino)-1,3-benzothiazol-6-yl]thieno[2,3-b]pyridine-3-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate (CID 165104792) is 5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]thieno[2,3-b]pyridine-3-carboxamide;cyclohexyl 5-[2-(methylcarbamoylamino)-1,3-benzothiazol-6-yl]thieno[2,3-b]pyridine-3-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate.
What is the SMILES notation for 5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]thieno[2,3-b]pyridine-3-carboxamide;cyclohexyl 5-[2-(methylcarbamoylamino)-1,3-benzothiazol-6-yl]thieno[2,3-b]pyridine-3-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate?
The canonical SMILES for 5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]thieno[2,3-b]pyridine-3-carboxamide;cyclohexyl 5-[2-(methylcarbamoylamino)-1,3-benzothiazol-6-yl]thieno[2,3-b]pyridine-3-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate is CC(=O)Nc1nc2ccc(-c3cnc4scc(C(=O)NC5CCCCC5)c4c3)cc2s1.CNC(=O)Nc1nc2ccc(-c3cnc4scc(C(=O)OC5CCCCC5)c4c3)cc2s1.O=C(NC1CCCCC1)c1csc2ncc(-c3ccc4nc(NC(=O)C5CC5)sc4c3)cc12.O=C(Nc1cn2cc(-c3cnc4ccn(C(=O)OC5CCOCC5)c4c3)ccc2n1)C1CC1.
What is the InChIKey of 5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]thieno[2,3-b]pyridine-3-carboxamide;cyclohexyl 5-[2-(methylcarbamoylamino)-1,3-benzothiazol-6-yl]thieno[2,3-b]pyridine-3-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate?
The InChIKey is YYEXMUQUEPQFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2S2.C24H23N5O4.C23H22N4O3S2.C23H22N4O2S2/c30-22(14-6-7-14)29-25-28-20-9-8-15(11-21(20)33-25)16-10-18-19(13-32-24(18)26-12-16)23(31)27-17-4-2-1-3-5-17;30-23(15-1-2-15)27-21-14-28-13-16(3-4-22(28)26-21)17-11-20-19(25-12-17)5-8-29(20)24(31)33-18-6-9-32-10-7-18;1-24-22(29)27-23-26-18-8-7-13(10-19(18)32-23)14-9-16-17(12-31-20(16)25-11-14)21(28)30-15-5-3-2-4-6-15;1-13(28)25-23-27-19-8-7-14(10-20(19)31-23)15-9-17-18(12-30-22(17)24-11-15)21(29)26-16-5-3-2-4-6-16/h8-14,17H,1-7H2,(H,27,31)(H,28,29,30);3-5,8,11-15,18H,1-2,6-7,9-10H2,(H,27,30);7-12,15H,2-6H2,1H3,(H2,24,26,27,29);7-12,16H,2-6H2,1H3,(H,26,29)(H,25,27,28).
What are the key properties of 5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]thieno[2,3-b]pyridine-3-carboxamide;cyclohexyl 5-[2-(methylcarbamoylamino)-1,3-benzothiazol-6-yl]thieno[2,3-b]pyridine-3-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate?
5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]thieno[2,3-b]pyridine-3-carboxamide;cyclohexyl 5-[2-(methylcarbamoylamino)-1,3-benzothiazol-6-yl]thieno[2,3-b]pyridine-3-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate has a molecular weight of 1839.28 g/mol, XLogP of 21.25, 17 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]thieno[2,3-b]pyridine-3-carboxamide;cyclohexyl 5-[2-(methylcarbamoylamino)-1,3-benzothiazol-6-yl]thieno[2,3-b]pyridine-3-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate is sourced from PubChem (CID 165104792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).