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

C180H202N36O5S8 — CID 160901998

IUPACethane;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
SMILESCC.CC.CC.CC.CC.CC.CC.CN1CCN(c2ccc3nc(-c4ccc(N5CCCC5)nc4)sc3c2)C(=O)C1.CN1CCN(c2ccc3nc(-c4ccc(N5CCCC5)nc4)sc3c2)C(=O)C1.O=C1CCCCN1c1ccc2nc(-c3ccc(N4CCCC4)nc3)sc2c1.O=C1c2sc(-c3ccc(N4CCCC4)nc3)nc2CCN1c1cccnc1.O=C1c2sc(-c3ccc(N4CCCC4)nc3)nc2CCN1c1cccnc1.c1cncc(-c2ccc3nc(-c4ccc(N5CCCC5)nc4)sc3c2)c1.c1cncc(-c2ccc3nc(-c4ccc(N5CCCC5)nc4)sc3c2)c1.c1cncc(-c2ccc3sc(-c4ccc(N5CCCC5)nc4)nc3c2)c1
InChIInChI=1S/2C21H23N5OS.C21H22N4OS.3C21H18N4S.2C20H19N5OS.7C2H6/c2*1-24-10-11-26(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;26-20-5-1-2-12-25(20)16-7-8-17-18(13-16)27-21(23-17)15-6-9-19(22-14-15)24-10-3-4-11-24;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;2*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;2*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;7*1-2/h2*4-7,12-13H,2-3,8-11,14H2,1H3;6-9,13-14H,1-5,10-12H2;3*3-9,12-14H,1-2,10-11H2;2*3-6,8,12-13H,1-2,7,9-11H2;7*1-2H3
InChIKeySPPZBAZLVGNNIZ-UHFFFAOYSA-N
MW3206.38 g/mol
LogP40.00
Rot. Bonds24

About 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

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 (PubChem CID 160901998) has the molecular formula C180H202N36O5S8 and a molecular weight of 3206.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameethane;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
PubChem CID160901998
Molecular FormulaC180H202N36O5S8
Molecular Weight3206.38 g/mol
Exact Mass3203.44
IUPAC Nameethane;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
SMILESCC.CC.CC.CC.CC.CC.CC.CN1CCN(c2ccc3nc(-c4ccc(N5CCCC5)nc4)sc3c2)C(=O)C1.CN1CCN(c2ccc3nc(-c4ccc(N5CCCC5)nc4)sc3c2)C(=O)C1.O=C1CCCCN1c1ccc2nc(-c3ccc(N4CCCC4)nc3)sc2c1.O=C1c2sc(-c3ccc(N4CCCC4)nc3)nc2CCN1c1cccnc1.O=C1c2sc(-c3ccc(N4CCCC4)nc3)nc2CCN1c1cccnc1.c1cncc(-c2ccc3nc(-c4ccc(N5CCCC5)nc4)sc3c2)c1.c1cncc(-c2ccc3nc(-c4ccc(N5CCCC5)nc4)sc3c2)c1.c1cncc(-c2ccc3sc(-c4ccc(N5CCCC5)nc4)nc3c2)c1
InChIInChI=1S/2C21H23N5OS.C21H22N4OS.3C21H18N4S.2C20H19N5OS.7C2H6/c2*1-24-10-11-26(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;26-20-5-1-2-12-25(20)16-7-8-17-18(13-16)27-21(23-17)15-6-9-19(22-14-15)24-10-3-4-11-24;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;2*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;2*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;7*1-2/h2*4-7,12-13H,2-3,8-11,14H2,1H3;6-9,13-14H,1-5,10-12H2;3*3-9,12-14H,1-2,10-11H2;2*3-6,8,12-13H,1-2,7,9-11H2;7*1-2H3
InChIKeySPPZBAZLVGNNIZ-UHFFFAOYSA-N
XLogP40.00
TPSA404.64 Ų
H-Bond Donors
H-Bond Acceptors44
Rotatable Bonds24
Heavy Atoms229
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003206.38
LogP ≤ 540.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1044

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

2-[(2R,5S)-2-[2-(1-acetylpiperidin-4-yl)-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[1-(2-fluoroethyl)piperidin-4-yl]-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-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[1-(2,2-difluoroethyl)piperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[1-(2-fluoroethyl)piperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-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
CID 165067372
N-(1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(4-benzylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2,3-dihydro-1H-inden-5-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;bis(2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide);2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 157615814
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
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
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
N-(1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2,3-dihydro-1H-inden-5-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;bis(2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide);2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 159990910
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
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-imidazol-1-ylphenyl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)acetamide;1,3-dimethyl-7-[3-oxo-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-2-ylphenyl)butyl]purine-2,6-dione
CID 162134049
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-[(2R,5S)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-ethyl-3-pyridinyl)-2-oxoacetamide;2-[(2S,5R)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-ethyl-3-pyridinyl)-2-oxoacetamide;2-[(2R,5S)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide;2-[(2S,5R)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide;5-[[2-[(2R,5S)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2S,5R)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164983295
CID 164997313
CID 164997313
N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylimidazol-2-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-pyridin-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-methylimidazol-2-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide
CID 165028974

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC.CC.CC.CC.CC.CC.CC.CN1CCN(c2ccc3nc(-c4ccc(N5CCCC5)nc4)sc3c2)C(=O)C1.CN1CCN(c2ccc3nc(-c4ccc(N5CCCC5)nc4)sc3c2)C(=O)C1.O=C1CCCCN1c1ccc2nc(-c3ccc(N4CCCC4)nc3)sc2c1.O=C1c2sc(-c3ccc(N4CCCC4)nc3)nc2CCN1c1cccnc1.O=C1c2sc(-c3ccc(N4CCCC4)nc3)nc2CCN1c1cccnc1.c1cncc(-c2ccc3nc(-c4ccc(N5CCCC5)nc4)sc3c2)c1.c1cncc(-c2ccc3nc(-c4ccc(N5CCCC5)nc4)sc3c2)c1.c1cncc(-c2ccc3sc(-c4ccc(N5CCCC5)nc4)nc3c2)c1.
What is the InChIKey of 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?
The InChIKey is SPPZBAZLVGNNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H23N5OS.C21H22N4OS.3C21H18N4S.2C20H19N5OS.7C2H6/c2*1-24-10-11-26(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;26-20-5-1-2-12-25(20)16-7-8-17-18(13-16)27-21(23-17)15-6-9-19(22-14-15)24-10-3-4-11-24;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;2*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;2*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;7*1-2/h2*4-7,12-13H,2-3,8-11,14H2,1H3;6-9,13-14H,1-5,10-12H2;3*3-9,12-14H,1-2,10-11H2;2*3-6,8,12-13H,1-2,7,9-11H2;7*1-2H3.
What are the key properties of 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?
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 has a molecular weight of 3206.38 g/mol, XLogP of 40.00, 24 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160901998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).