N-[5-[[(2R)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;5-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenoxy]-2-methylpyridine;5-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenoxy]-2-methylpyridine;N-[5-[[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2R)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C118H128N20O12S6 — CID 158552703

IUPACN-[5-[[(2R)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;5-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenoxy]-2-methylpyridine;5-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenoxy]-2-methylpyridine;N-[5-[[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2R)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC[C@@H]2c2ccc3scnc3c2)s1.CC(=O)Nc1ncc(CN2CCC[C@@H]2c2cnc3c(c2)OCC3)s1.CC(=O)Nc1ncc(CN2CCC[C@H]2c2ccc3scnc3c2)s1.CC(=O)Nc1ncc(CN2CCC[C@H]2c2cnc3c(c2)OCC3)s1.Cc1ccc(Oc2ccc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)cc2)cn1.Cc1ccc(Oc2ccc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)cc2)cn1
InChIInChI=1S/2C25H26N2O3.2C17H20N4O2S.2C17H18N4OS2/c2*1-18-4-8-22(16-26-18)30-21-9-5-19(6-10-21)17-27-12-2-3-23(27)20-7-11-24-25(15-20)29-14-13-28-24;2*1-11(22)20-17-19-9-13(24-17)10-21-5-2-3-15(21)12-7-16-14(18-8-12)4-6-23-16;2*1-11(22)20-17-18-8-13(24-17)9-21-6-2-3-15(21)12-4-5-16-14(7-12)19-10-23-16/h2*4-11,15-16,23H,2-3,12-14,17H2,1H3;2*7-9,15H,2-6,10H2,1H3,(H,19,20,22);2*4-5,7-8,10,15H,2-3,6,9H2,1H3,(H,18,20,22)/t2*23-;4*15-/m101010/s1
InChIKeyHPXNKRIQZNURBF-LIBZMMFKSA-N
MW2210.85 g/mol
LogP24.21
Rot. Bonds26

About N-[5-[[(2R)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;5-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenoxy]-2-methylpyridine;5-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenoxy]-2-methylpyridine;N-[5-[[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2R)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[(2R)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;5-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenoxy]-2-methylpyridine;5-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenoxy]-2-methylpyridine;N-[5-[[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2R)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 158552703) has the molecular formula C118H128N20O12S6 and a molecular weight of 2210.85 g/mol. Its IUPAC name is N-[5-[[(2R)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;5-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenoxy]-2-methylpyridine;5-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenoxy]-2-methylpyridine;N-[5-[[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2R)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[(2R)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;5-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenoxy]-2-methylpyridine;5-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenoxy]-2-methylpyridine;N-[5-[[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2R)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID158552703
Molecular FormulaC118H128N20O12S6
Molecular Weight2210.85 g/mol
Exact Mass2208.83
IUPAC NameN-[5-[[(2R)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;5-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenoxy]-2-methylpyridine;5-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenoxy]-2-methylpyridine;N-[5-[[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2R)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC[C@@H]2c2ccc3scnc3c2)s1.CC(=O)Nc1ncc(CN2CCC[C@@H]2c2cnc3c(c2)OCC3)s1.CC(=O)Nc1ncc(CN2CCC[C@H]2c2ccc3scnc3c2)s1.CC(=O)Nc1ncc(CN2CCC[C@H]2c2cnc3c(c2)OCC3)s1.Cc1ccc(Oc2ccc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)cc2)cn1.Cc1ccc(Oc2ccc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)cc2)cn1
InChIInChI=1S/2C25H26N2O3.2C17H20N4O2S.2C17H18N4OS2/c2*1-18-4-8-22(16-26-18)30-21-9-5-19(6-10-21)17-27-12-2-3-23(27)20-7-11-24-25(15-20)29-14-13-28-24;2*1-11(22)20-17-19-9-13(24-17)10-21-5-2-3-15(21)12-7-16-14(18-8-12)4-6-23-16;2*1-11(22)20-17-18-8-13(24-17)9-21-6-2-3-15(21)12-4-5-16-14(7-12)19-10-23-16/h2*4-11,15-16,23H,2-3,12-14,17H2,1H3;2*7-9,15H,2-6,10H2,1H3,(H,19,20,22);2*4-5,7-8,10,15H,2-3,6,9H2,1H3,(H,18,20,22)/t2*23-;4*15-/m101010/s1
InChIKeyHPXNKRIQZNURBF-LIBZMMFKSA-N
XLogP24.21
TPSA338.58 Ų
H-Bond Donors4
H-Bond Acceptors34
Rotatable Bonds26
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002210.85
LogP ≤ 524.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1034

Analyze N-[5-[[(2R)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;5-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenoxy]-2-methylpyridine;5-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenoxy]-2-methylpyridine;N-[5-[[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2R)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide with MolForge

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Related Compounds

5-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine;5-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpyridine;N-[5-[[(2R)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide;N-[4-[(2R)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide
CID 158759767
5-[4-[[(2R)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2R)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2S)-2-(1,8-naphthyridin-2-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2R)-2-(1,8-naphthyridin-2-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one
CID 159529558
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(2,3-dihydro-1-benzofuran-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(3-ethylphenyl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(3H-indol-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(4-methoxyphenyl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;bis(6-(5-methoxy-3-pyridinyl)-N-(4-methylphenyl)-1,3-benzothiazol-2-amine);6-(5-methoxy-3-pyridinyl)-N-(1-prop-1-en-2-yl-2,3-dihydroindol-6-yl)-1,3-benzothiazol-2-amine;6-(5-methoxy-3-pyridinyl)-N-(3-propylphenyl)-1,3-benzothiazol-2-amine
CID 159957785
N-(4-butylphenyl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;5-(5,6-diethoxy-3-pyridinyl)-N-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-(6-ethoxy-5-methoxy-3-pyridinyl)-N-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-(6-methoxy-5-propan-2-yloxy-3-pyridinyl)-N-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-amine;6-(5-methoxy-3-pyridinyl)-N-(4-methylphenyl)-1,3-benzothiazol-2-amine;6-(5-methoxy-3-pyridinyl)-N-phenyl-1,3-benzothiazol-2-amine;6-(5-methoxy-3-pyridinyl)-N-(4-propan-2-yloxyphenyl)-1,3-benzothiazol-2-amine;6-(5-methoxy-3-pyridinyl)-N-(4-propan-2-ylphenyl)-1,3-benzothiazol-2-amine;5-(5-methyl-3-pyridinyl)-N-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 160040946
8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-3-(pyrimidin-5-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-(pyrimidin-5-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 160897399
1-[2-[(3R,5S)-1-[(1S)-1-(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)ethyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3R,5S)-1-[(1S)-1-(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)ethyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]ethanone;1-[3-[(3S,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[3-[(3R,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[6-[(3S,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone
CID 161995323
1-[2-[(3R,5S)-1-[(1S)-1-(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)ethyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3R,5S)-1-[(1S)-1-(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)ethyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]ethanone;1-[3-[(3S,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[3-[(3R,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone
CID 162102178
N-benzyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(4-methyl-2-pyridinyl)methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(5-methyl-2-pyridinyl)methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(6-methyl-2-pyridinyl)methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(pyridin-2-ylmethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide
CID 167671140

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(2R)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;5-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenoxy]-2-methylpyridine;5-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenoxy]-2-methylpyridine;N-[5-[[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2R)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[(2R)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;5-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenoxy]-2-methylpyridine;5-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenoxy]-2-methylpyridine;N-[5-[[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2R)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 158552703) is N-[5-[[(2R)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;5-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenoxy]-2-methylpyridine;5-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenoxy]-2-methylpyridine;N-[5-[[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2R)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[(2R)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;5-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenoxy]-2-methylpyridine;5-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenoxy]-2-methylpyridine;N-[5-[[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2R)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[(2R)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;5-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenoxy]-2-methylpyridine;5-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenoxy]-2-methylpyridine;N-[5-[[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2R)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCC[C@@H]2c2ccc3scnc3c2)s1.CC(=O)Nc1ncc(CN2CCC[C@@H]2c2cnc3c(c2)OCC3)s1.CC(=O)Nc1ncc(CN2CCC[C@H]2c2ccc3scnc3c2)s1.CC(=O)Nc1ncc(CN2CCC[C@H]2c2cnc3c(c2)OCC3)s1.Cc1ccc(Oc2ccc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)cc2)cn1.Cc1ccc(Oc2ccc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)cc2)cn1.
What is the InChIKey of N-[5-[[(2R)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;5-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenoxy]-2-methylpyridine;5-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenoxy]-2-methylpyridine;N-[5-[[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2R)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is HPXNKRIQZNURBF-LIBZMMFKSA-N. The full InChI is InChI=1S/2C25H26N2O3.2C17H20N4O2S.2C17H18N4OS2/c2*1-18-4-8-22(16-26-18)30-21-9-5-19(6-10-21)17-27-12-2-3-23(27)20-7-11-24-25(15-20)29-14-13-28-24;2*1-11(22)20-17-19-9-13(24-17)10-21-5-2-3-15(21)12-7-16-14(18-8-12)4-6-23-16;2*1-11(22)20-17-18-8-13(24-17)9-21-6-2-3-15(21)12-4-5-16-14(7-12)19-10-23-16/h2*4-11,15-16,23H,2-3,12-14,17H2,1H3;2*7-9,15H,2-6,10H2,1H3,(H,19,20,22);2*4-5,7-8,10,15H,2-3,6,9H2,1H3,(H,18,20,22)/t2*23-;4*15-/m101010/s1.
What are the key properties of N-[5-[[(2R)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;5-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenoxy]-2-methylpyridine;5-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenoxy]-2-methylpyridine;N-[5-[[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2R)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[(2R)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;5-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenoxy]-2-methylpyridine;5-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenoxy]-2-methylpyridine;N-[5-[[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2R)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 2210.85 g/mol, XLogP of 24.21, 26 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(2R)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;5-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenoxy]-2-methylpyridine;5-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenoxy]-2-methylpyridine;N-[5-[[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2R)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 158552703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).