2-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-methylsulfinyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-phenyl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

C110H125N29O13S9 — CID 158949367

IUPAC2-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-methylsulfinyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-phenyl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESC.C.C.C.C.CS(=O)(=O)c1ccc2c(c1)C(=O)N(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cs1)C2.CS(=O)c1ccc2c(c1)C(=O)N(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cs1)C2.CSc1ccc2c(c1)C(=O)N(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cs1)C2.O=C(Nc1cnccc1N1CCNCC1)c1csc(-c2ccccc2)n1.O=C(Nc1cnccc1N1CCNCC1)c1csc(N2Cc3ccccc3S2(=O)=O)n1
InChIInChI=1S/C22H22N6O4S2.C22H22N6O3S2.C22H22N6O2S2.C20H20N6O3S2.C19H19N5OS.5CH4/c1-34(31,32)15-3-2-14-12-28(21(30)16(14)10-15)22-26-18(13-33-22)20(29)25-17-11-24-5-4-19(17)27-8-6-23-7-9-27;1-33(31)15-3-2-14-12-28(21(30)16(14)10-15)22-26-18(13-32-22)20(29)25-17-11-24-5-4-19(17)27-8-6-23-7-9-27;1-31-15-3-2-14-12-28(21(30)16(14)10-15)22-26-18(13-32-22)20(29)25-17-11-24-5-4-19(17)27-8-6-23-7-9-27;27-19(23-15-11-22-6-5-17(15)25-9-7-21-8-10-25)16-13-30-20(24-16)26-12-14-3-1-2-4-18(14)31(26,28)29;25-18(16-13-26-19(23-16)14-4-2-1-3-5-14)22-15-12-21-7-6-17(15)24-10-8-20-9-11-24;;;;;/h2-5,10-11,13,23H,6-9,12H2,1H3,(H,25,29);2-5,10-11,13,23H,6-9,12H2,1H3,(H,25,29);2-5,10-11,13,23H,6-9,12H2,1H3,(H,25,29);1-6,11,13,21H,7-10,12H2,(H,23,27);1-7,12-13,20H,8-11H2,(H,22,25);5*1H4
InChIKeyJLFOMILNOGZRNX-UHFFFAOYSA-N
MW2350.00 g/mol
LogP14.90
Rot. Bonds23

About 2-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-methylsulfinyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-phenyl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

2-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-methylsulfinyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-phenyl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 158949367) has the molecular formula C110H125N29O13S9 and a molecular weight of 2350.00 g/mol. Its IUPAC name is 2-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-methylsulfinyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-phenyl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-methylsulfinyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-phenyl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID158949367
Molecular FormulaC110H125N29O13S9
Molecular Weight2350.00 g/mol
Exact Mass2347.75
IUPAC Name2-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-methylsulfinyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-phenyl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESC.C.C.C.C.CS(=O)(=O)c1ccc2c(c1)C(=O)N(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cs1)C2.CS(=O)c1ccc2c(c1)C(=O)N(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cs1)C2.CSc1ccc2c(c1)C(=O)N(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cs1)C2.O=C(Nc1cnccc1N1CCNCC1)c1csc(-c2ccccc2)n1.O=C(Nc1cnccc1N1CCNCC1)c1csc(N2Cc3ccccc3S2(=O)=O)n1
InChIInChI=1S/C22H22N6O4S2.C22H22N6O3S2.C22H22N6O2S2.C20H20N6O3S2.C19H19N5OS.5CH4/c1-34(31,32)15-3-2-14-12-28(21(30)16(14)10-15)22-26-18(13-33-22)20(29)25-17-11-24-5-4-19(17)27-8-6-23-7-9-27;1-33(31)15-3-2-14-12-28(21(30)16(14)10-15)22-26-18(13-32-22)20(29)25-17-11-24-5-4-19(17)27-8-6-23-7-9-27;1-31-15-3-2-14-12-28(21(30)16(14)10-15)22-26-18(13-32-22)20(29)25-17-11-24-5-4-19(17)27-8-6-23-7-9-27;27-19(23-15-11-22-6-5-17(15)25-9-7-21-8-10-25)16-13-30-20(24-16)26-12-14-3-1-2-4-18(14)31(26,28)29;25-18(16-13-26-19(23-16)14-4-2-1-3-5-14)22-15-12-21-7-6-17(15)24-10-8-20-9-11-24;;;;;/h2-5,10-11,13,23H,6-9,12H2,1H3,(H,25,29);2-5,10-11,13,23H,6-9,12H2,1H3,(H,25,29);2-5,10-11,13,23H,6-9,12H2,1H3,(H,25,29);1-6,11,13,21H,7-10,12H2,(H,23,27);1-7,12-13,20H,8-11H2,(H,22,25);5*1H4
InChIKeyJLFOMILNOGZRNX-UHFFFAOYSA-N
XLogP14.90
TPSA500.27 Ų
H-Bond Donors10
H-Bond Acceptors39
Rotatable Bonds23
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002350.00
LogP ≤ 514.90
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1039

Analyze 2-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-methylsulfinyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-phenyl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

6-[5-(Methylidene-oxo-pyridin-4-yl-lambda6-sulfanyl)-1,3-thiazol-2-yl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-[methylidene(oxan-4-yl)-lambda4-sulfanyl]phenyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-5-[methylidene-oxo-(2,2,2-trifluoroethyl)-lambda6-sulfanyl]phenyl]-2-(4-piperidin-3-ylanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-3-thiophen-2-ylsulfonylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 157161668
6-(2-Methylcyclopenten-1-yl)-2-(4-piperidin-3-ylanilino)-8-[[5-(1,3-thiazol-2-ylsulfinyl)-1,3-thiazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[[5-(2,2,2-trifluoroethylsulfonyl)-1,2-thiazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(2-methyl-6-propan-2-ylsulfinylphenyl)methyl]-6-(pyridin-3-ylamino)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 159791545
N-methyl-2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]-1,3-thiazole-4-carboxamide;N-(2-morpholin-4-ylethyl)-2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]-1,3-thiazole-4-carboxamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-pyridin-3-ylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-pyridin-4-ylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 161202651
6-[1-(Benzenesulfonyl)-5-methylimidazol-4-yl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[1-[dihydroxy(methyl)-lambda4-sulfanyl]piperidin-4-yl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-(4-pyridin-4-ylsulfonylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-[methylidene-oxo-(2,2,2-trifluoroethyl)-lambda6-sulfanyl]-1,3-thiazol-2-yl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-5-[methylidene-oxo-(1,3-thiazol-5-yl)-lambda6-sulfanyl]phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 161249138
6-[5-(Methylidene-oxo-pyridin-4-yl-lambda6-sulfanyl)-1,3-thiazol-2-yl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-[methylidene(oxan-4-yl)-lambda4-sulfanyl]phenyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-3-thiophen-2-ylsulfonylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-5-(2,2,2-trifluoroethylsulfonyl)phenyl]-2-(4-piperidin-3-ylanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen
CID 161356011
8-[[4-(Benzenesulfonyl)-1,3-thiazol-5-yl]methyl]-6-(2-methylcyclopenten-1-yl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[[5-[2-(dimethylamino)ethylsulfonyl]-1,3-thiazol-4-yl]methyl]-6-(1-methylimidazol-2-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-fluoro-6-pyridin-4-ylsulfinylphenyl)methyl]-6-(2-methylphenyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(pyridin-3-ylamino)-2-[4-(pyrrolidin-3-ylamino)anilino]-8-[[1-(2,2,2-trifluoroethylsulfonyl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 161663489
2-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 24953402
2-(6-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 59503740
N-[4-[2-[6-methylsulfanyl-1-oxo-2-[4-[(4-piperazin-1-yl-3-pyridinyl)carbamoyl]-1,3-thiazol-2-yl]-3H-isoindol-4-yl]piperazin-1-yl]-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 143665884
ethane;methanamine;N-[(1E)-3-(methylamino)-1-(methylideneamino)buta-1,3-dien-2-yl]-2-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-1,3-thiazole-4-carboxamide;molecular hydrogen;2-phenyl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 143666066
2-(1,3-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(3-methylsulfonylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(4-methylsulfonylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
CID 157337270
(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(7-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-(1,1-dioxothian-4-yl)-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-2-oxo-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-piperidin-4-ylethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-oxo-2-[2-(7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidin-1-yl]-1-pyridin-3-ylethyl]propanamide
CID 157423677

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-methylsulfinyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-phenyl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-methylsulfinyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-phenyl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 158949367) is 2-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-methylsulfinyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-phenyl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-methylsulfinyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-phenyl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-methylsulfinyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-phenyl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is C.C.C.C.C.CS(=O)(=O)c1ccc2c(c1)C(=O)N(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cs1)C2.CS(=O)c1ccc2c(c1)C(=O)N(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cs1)C2.CSc1ccc2c(c1)C(=O)N(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cs1)C2.O=C(Nc1cnccc1N1CCNCC1)c1csc(-c2ccccc2)n1.O=C(Nc1cnccc1N1CCNCC1)c1csc(N2Cc3ccccc3S2(=O)=O)n1.
What is the InChIKey of 2-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-methylsulfinyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-phenyl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is JLFOMILNOGZRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O4S2.C22H22N6O3S2.C22H22N6O2S2.C20H20N6O3S2.C19H19N5OS.5CH4/c1-34(31,32)15-3-2-14-12-28(21(30)16(14)10-15)22-26-18(13-33-22)20(29)25-17-11-24-5-4-19(17)27-8-6-23-7-9-27;1-33(31)15-3-2-14-12-28(21(30)16(14)10-15)22-26-18(13-32-22)20(29)25-17-11-24-5-4-19(17)27-8-6-23-7-9-27;1-31-15-3-2-14-12-28(21(30)16(14)10-15)22-26-18(13-32-22)20(29)25-17-11-24-5-4-19(17)27-8-6-23-7-9-27;27-19(23-15-11-22-6-5-17(15)25-9-7-21-8-10-25)16-13-30-20(24-16)26-12-14-3-1-2-4-18(14)31(26,28)29;25-18(16-13-26-19(23-16)14-4-2-1-3-5-14)22-15-12-21-7-6-17(15)24-10-8-20-9-11-24;;;;;/h2-5,10-11,13,23H,6-9,12H2,1H3,(H,25,29);2-5,10-11,13,23H,6-9,12H2,1H3,(H,25,29);2-5,10-11,13,23H,6-9,12H2,1H3,(H,25,29);1-6,11,13,21H,7-10,12H2,(H,23,27);1-7,12-13,20H,8-11H2,(H,22,25);5*1H4.
What are the key properties of 2-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-methylsulfinyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-phenyl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
2-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-methylsulfinyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-phenyl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 2350.00 g/mol, XLogP of 14.90, 23 rotatable bonds, 10 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-methylsulfinyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-phenyl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 158949367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).