ethane;4-methyl-1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]piperazin-2-one;5-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-3a,6,7,7a-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one;5-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole;6-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole;4-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]morpholin-3-one

C113H130N22O4S5 — CID 158100895

IUPACethane;4-methyl-1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]piperazin-2-one;5-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-3a,6,7,7a-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one;5-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole;6-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole;4-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]morpholin-3-one
SMILESCC.CC.CC.CC.CC.CN1CCN(c2ccc3nc(-c4ccc(N5CCCC5)nc4)sc3c2)C(=O)C1.O=C1C2SC(c3ccc(N4CCCC4)nc3)=NC2CCN1c1cccnc1.O=C1COCCN1c1ccc2nc(-c3ccc(N4CCCC4)nc3)sc2c1.c1cncc(-c2ccc3nc(-c4ccc(N5CCCC5)nc4)sc3c2)c1.c1cncc(-c2ccc3sc(-c4ccc(N5CCCC5)nc4)nc3c2)c1
InChIInChI=1S/C21H23N5OS.2C21H18N4S.C20H21N5OS.C20H20N4O2S.5C2H6/c1-24-10-11-26(20(27)14-24)16-5-6-17-18(12-16)28-21(23-17)15-4-7-19(22-13-15)25-8-2-3-9-25;1-2-11-25(10-1)20-8-6-17(14-23-20)21-24-18-12-15(5-7-19(18)26-21)16-4-3-9-22-13-16;1-2-11-25(10-1)20-8-6-17(14-23-20)21-24-18-7-5-15(12-19(18)26-21)16-4-3-9-22-13-16;26-20-18-16(7-11-25(20)15-4-3-8-21-13-15)23-19(27-18)14-5-6-17(22-12-14)24-9-1-2-10-24;25-19-13-26-10-9-24(19)15-4-5-16-17(11-15)27-20(22-16)14-3-6-18(21-12-14)23-7-1-2-8-23;5*1-2/h4-7,12-13H,2-3,8-11,14H2,1H3;2*3-9,12-14H,1-2,10-11H2;3-6,8,12-13,16,18H,1-2,7,9-11H2;3-6,11-12H,1-2,7-10,13H2;5*1-2H3
InChIKeyFPFWVXJVBMDLRF-UHFFFAOYSA-N
MW2020.77 g/mol
LogP24.47
Rot. Bonds15

About ethane;4-methyl-1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]piperazin-2-one;5-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-3a,6,7,7a-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one;5-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole;6-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole;4-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]morpholin-3-one

ethane;4-methyl-1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]piperazin-2-one;5-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-3a,6,7,7a-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one;5-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole;6-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole;4-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]morpholin-3-one (PubChem CID 158100895) has the molecular formula C113H130N22O4S5 and a molecular weight of 2020.77 g/mol. Its IUPAC name is ethane;4-methyl-1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]piperazin-2-one;5-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-3a,6,7,7a-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one;5-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole;6-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole;4-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]morpholin-3-one.

Molecular Properties

Compound Nameethane;4-methyl-1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]piperazin-2-one;5-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-3a,6,7,7a-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one;5-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole;6-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole;4-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]morpholin-3-one
PubChem CID158100895
Molecular FormulaC113H130N22O4S5
Molecular Weight2020.77 g/mol
Exact Mass2018.92
IUPAC Nameethane;4-methyl-1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]piperazin-2-one;5-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-3a,6,7,7a-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one;5-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole;6-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole;4-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]morpholin-3-one
SMILESCC.CC.CC.CC.CC.CN1CCN(c2ccc3nc(-c4ccc(N5CCCC5)nc4)sc3c2)C(=O)C1.O=C1C2SC(c3ccc(N4CCCC4)nc3)=NC2CCN1c1cccnc1.O=C1COCCN1c1ccc2nc(-c3ccc(N4CCCC4)nc3)sc2c1.c1cncc(-c2ccc3nc(-c4ccc(N5CCCC5)nc4)sc3c2)c1.c1cncc(-c2ccc3sc(-c4ccc(N5CCCC5)nc4)nc3c2)c1
InChIInChI=1S/C21H23N5OS.2C21H18N4S.C20H21N5OS.C20H20N4O2S.5C2H6/c1-24-10-11-26(20(27)14-24)16-5-6-17-18(12-16)28-21(23-17)15-4-7-19(22-13-15)25-8-2-3-9-25;1-2-11-25(10-1)20-8-6-17(14-23-20)21-24-18-12-15(5-7-19(18)26-21)16-4-3-9-22-13-16;1-2-11-25(10-1)20-8-6-17(14-23-20)21-24-18-7-5-15(12-19(18)26-21)16-4-3-9-22-13-16;26-20-18-16(7-11-25(20)15-4-3-8-21-13-15)23-19(27-18)14-5-6-17(22-12-14)24-9-1-2-10-24;25-19-13-26-10-9-24(19)15-4-5-16-17(11-15)27-20(22-16)14-3-6-18(21-12-14)23-7-1-2-8-23;5*1-2/h4-7,12-13H,2-3,8-11,14H2,1H3;2*3-9,12-14H,1-2,10-11H2;3-6,8,12-13,16,18H,1-2,7,9-11H2;3-6,11-12H,1-2,7-10,13H2;5*1-2H3
InChIKeyFPFWVXJVBMDLRF-UHFFFAOYSA-N
XLogP24.47
TPSA256.64 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds15
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002020.77
LogP ≤ 524.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze ethane;4-methyl-1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]piperazin-2-one;5-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-3a,6,7,7a-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one;5-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole;6-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole;4-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]morpholin-3-one with MolForge

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Related Compounds

Ethane;4-methyl-1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-5-yl]piperazin-2-one;5-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-3a,6,7,7a-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-4-one;bis(5-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole);4-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-5-yl]morpholin-3-one
CID 157921210
bis(6-(6-methyl-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole);1-[2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-1,3-benzothiazol-6-yl]piperidin-2-one;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-5-pyridin-3-yl-3a,6,7,7a-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-5-pyridin-3-yl-1,3-benzothiazole;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-6-pyridin-3-yl-1,3-benzothiazole;6-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-2-pyridin-3-ylthieno[2,3-b]pyridine
CID 158102230
2-[6-[(3R)-3-fluoropiperidin-1-yl]-3-pyridinyl]-6-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine;6-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-2-(2H-pyrrol-4-yl)thieno[2,3-b]pyridine;4-[2-(1-propylpyrazol-4-yl)-1,3-benzothiazol-6-yl]morpholin-3-one;4-propyl-1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]piperazin-2-one;1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperidin-2-one
CID 158969021
(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2R)-2-(7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-2-(2-hydroxyethylamino)-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]propanamide;(2S)-N-[(1S)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxo-2-[(2S)-2-(7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]-2-oxo-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide
CID 159122004
Ethane;bis(4-methyl-1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]piperazin-2-one);5-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole;bis(6-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole);bis(5-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one);1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]piperidin-2-one
CID 160901998
5-(6-Methyl-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-3a,6,7,7a-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one;4-methyl-1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]piperazin-2-one
CID 161606334
N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylpyrrolidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(3S)-1-methylpyrrolidin-3-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(3R)-1-methylpyrrolidin-3-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide
CID 164979622
2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methyl-2-oxopiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(4S)-1-methyl-2-oxopiperidin-4-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(4R)-1-methyl-2-oxopiperidin-4-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;1-methyl-4-[5-[(2R,5S)-5-methylpiperidin-2-yl]-1,3-benzothiazol-2-yl]piperidin-2-one
CID 164990872
N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(2-morpholin-4-ylethyl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(morpholin-4-ylmethyl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide
CID 164999348
N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,6S)-2-methyl-6-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,6R)-2-methyl-6-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[1-(oxetan-3-yl)piperidin-4-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-(2-piperidin-4-yl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[1-(oxetan-3-yl)piperidin-4-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide
CID 165036631
N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2R,5S)-2-[2-(2-methoxyethyl)-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-(2-methoxyethyl)-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[2-[methyl(oxetan-3-yl)amino]ethyl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-[2-(methoxymethyl)-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-[2-(methoxymethyl)-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 165073932
N-(6-amino-5-ethyl-3-pyridinyl)-2-[(5S)-5-methyl-2-[2-(1-methylpyrrolidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-[(5-ethyl-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(5-ethyl-6-methyl-3-pyridinyl)-2-[(5S)-5-methyl-2-[2-(1-methylpyrrolidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-(1-methylpyrrolidin-3-yl)-5-[(3S)-3-methyl-1,2,3,4-tetrahydropyridin-6-yl]-1,3-benzothiazole
CID 165102790

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]piperazin-2-one;5-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-3a,6,7,7a-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one;5-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole;6-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole;4-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]morpholin-3-one?
The IUPAC name of ethane;4-methyl-1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]piperazin-2-one;5-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-3a,6,7,7a-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one;5-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole;6-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole;4-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]morpholin-3-one (CID 158100895) is ethane;4-methyl-1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]piperazin-2-one;5-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-3a,6,7,7a-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one;5-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole;6-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole;4-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]morpholin-3-one.
What is the SMILES notation for ethane;4-methyl-1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]piperazin-2-one;5-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-3a,6,7,7a-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one;5-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole;6-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole;4-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]morpholin-3-one?
The canonical SMILES for ethane;4-methyl-1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]piperazin-2-one;5-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-3a,6,7,7a-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one;5-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole;6-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole;4-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]morpholin-3-one is CC.CC.CC.CC.CC.CN1CCN(c2ccc3nc(-c4ccc(N5CCCC5)nc4)sc3c2)C(=O)C1.O=C1C2SC(c3ccc(N4CCCC4)nc3)=NC2CCN1c1cccnc1.O=C1COCCN1c1ccc2nc(-c3ccc(N4CCCC4)nc3)sc2c1.c1cncc(-c2ccc3nc(-c4ccc(N5CCCC5)nc4)sc3c2)c1.c1cncc(-c2ccc3sc(-c4ccc(N5CCCC5)nc4)nc3c2)c1.
What is the InChIKey of ethane;4-methyl-1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]piperazin-2-one;5-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-3a,6,7,7a-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one;5-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole;6-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole;4-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]morpholin-3-one?
The InChIKey is FPFWVXJVBMDLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5OS.2C21H18N4S.C20H21N5OS.C20H20N4O2S.5C2H6/c1-24-10-11-26(20(27)14-24)16-5-6-17-18(12-16)28-21(23-17)15-4-7-19(22-13-15)25-8-2-3-9-25;1-2-11-25(10-1)20-8-6-17(14-23-20)21-24-18-12-15(5-7-19(18)26-21)16-4-3-9-22-13-16;1-2-11-25(10-1)20-8-6-17(14-23-20)21-24-18-7-5-15(12-19(18)26-21)16-4-3-9-22-13-16;26-20-18-16(7-11-25(20)15-4-3-8-21-13-15)23-19(27-18)14-5-6-17(22-12-14)24-9-1-2-10-24;25-19-13-26-10-9-24(19)15-4-5-16-17(11-15)27-20(22-16)14-3-6-18(21-12-14)23-7-1-2-8-23;5*1-2/h4-7,12-13H,2-3,8-11,14H2,1H3;2*3-9,12-14H,1-2,10-11H2;3-6,8,12-13,16,18H,1-2,7,9-11H2;3-6,11-12H,1-2,7-10,13H2;5*1-2H3.
What are the key properties of ethane;4-methyl-1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]piperazin-2-one;5-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-3a,6,7,7a-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one;5-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole;6-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole;4-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]morpholin-3-one?
ethane;4-methyl-1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]piperazin-2-one;5-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-3a,6,7,7a-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one;5-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole;6-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole;4-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]morpholin-3-one has a molecular weight of 2020.77 g/mol, XLogP of 24.47, 15 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]piperazin-2-one;5-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-3a,6,7,7a-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one;5-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole;6-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole;4-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]morpholin-3-one is sourced from PubChem (CID 158100895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).