N-[4-[2-fluoro-5-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-fluoro-5-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(5-fluoro-2-pyridinyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(6-fluoro-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[5-(4-isocyanophenyl)-2-methoxyphenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide;N-[4-[6-(4-isocyanophenyl)-2-pyridinyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(5-isocyano-2-pyridinyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide

C179H129F4N33O9S15 — CID 159962263

IUPACN-[4-[2-fluoro-5-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-fluoro-5-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(5-fluoro-2-pyridinyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(6-fluoro-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[5-(4-isocyanophenyl)-2-methoxyphenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide;N-[4-[6-(4-isocyanophenyl)-2-pyridinyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(5-isocyano-2-pyridinyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1nc(-c2cccc(-c3ccc(F)cn3)c2)cs1.CSc1ncccc1C(=O)Nc1nc(-c2cccc(-c3ccc(F)nc3)c2)cs1.[C-]#[N+]c1ccc(-c2cc(F)cc(-c3csc(NC(=O)c4cccnc4SC)n3)c2)cc1.[C-]#[N+]c1ccc(-c2ccc(F)c(-c3csc(NC(=O)c4cccnc4SC)n3)c2)cc1.[C-]#[N+]c1ccc(-c2ccc(OC)c(-c3csc(NC(=O)c4cccnc4SC)n3)c2)cc1.[C-]#[N+]c1ccc(-c2cccc(-c3csc(NC(=O)C4CCCCC4)n3)c2)cc1.[C-]#[N+]c1ccc(-c2cccc(-c3csc(NC(=O)c4cccnc4SC)n3)c2)nc1.[C-]#[N+]c1ccc(-c2cccc(-c3csc(NC(=O)c4cccnc4SC)n3)n2)cc1
InChIInChI=1S/C24H18N4O2S2.2C23H15FN4OS2.C23H21N3OS.2C22H15N5OS2.2C21H15FN4OS2/c1-25-17-9-6-15(7-10-17)16-8-11-21(30-2)19(13-16)20-14-32-24(27-20)28-22(29)18-5-4-12-26-23(18)31-3;1-25-16-8-5-14(6-9-16)15-7-10-19(24)18(12-15)20-13-31-23(27-20)28-21(29)17-4-3-11-26-22(17)30-2;1-25-18-7-5-14(6-8-18)15-10-16(12-17(24)11-15)20-13-31-23(27-20)28-21(29)19-4-3-9-26-22(19)30-2;1-24-20-12-10-16(11-13-20)18-8-5-9-19(14-18)21-15-28-23(25-21)26-22(27)17-6-3-2-4-7-17;1-23-15-10-8-14(9-11-15)17-6-3-7-18(25-17)19-13-30-22(26-19)27-20(28)16-5-4-12-24-21(16)29-2;1-23-16-8-9-18(25-12-16)14-5-3-6-15(11-14)19-13-30-22(26-19)27-20(28)17-7-4-10-24-21(17)29-2;1-28-20-16(6-3-9-23-20)19(27)26-21-25-18(12-29-21)14-5-2-4-13(10-14)17-8-7-15(22)11-24-17;1-28-20-16(6-3-9-23-20)19(27)26-21-25-17(12-29-21)14-5-2-4-13(10-14)15-7-8-18(22)24-11-15/h4-14H,2-3H3,(H,27,28,29);2*3-13H,2H3,(H,27,28,29);5,8-15,17H,2-4,6-7H2,(H,25,26,27);2*3-13H,2H3,(H,26,27,28);2*2-12H,1H3,(H,25,26,27)
InChIKeyODMFWDYYMNNWOC-UHFFFAOYSA-N
MW3443.22 g/mol
LogP48.37
Rot. Bonds40

About N-[4-[2-fluoro-5-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-fluoro-5-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(5-fluoro-2-pyridinyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(6-fluoro-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[5-(4-isocyanophenyl)-2-methoxyphenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide;N-[4-[6-(4-isocyanophenyl)-2-pyridinyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(5-isocyano-2-pyridinyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide

N-[4-[2-fluoro-5-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-fluoro-5-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(5-fluoro-2-pyridinyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(6-fluoro-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[5-(4-isocyanophenyl)-2-methoxyphenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide;N-[4-[6-(4-isocyanophenyl)-2-pyridinyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(5-isocyano-2-pyridinyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 159962263) has the molecular formula C179H129F4N33O9S15 and a molecular weight of 3443.22 g/mol. Its IUPAC name is N-[4-[2-fluoro-5-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-fluoro-5-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(5-fluoro-2-pyridinyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(6-fluoro-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[5-(4-isocyanophenyl)-2-methoxyphenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide;N-[4-[6-(4-isocyanophenyl)-2-pyridinyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(5-isocyano-2-pyridinyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-fluoro-5-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-fluoro-5-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(5-fluoro-2-pyridinyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(6-fluoro-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[5-(4-isocyanophenyl)-2-methoxyphenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide;N-[4-[6-(4-isocyanophenyl)-2-pyridinyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(5-isocyano-2-pyridinyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide
PubChem CID159962263
Molecular FormulaC179H129F4N33O9S15
Molecular Weight3443.22 g/mol
Exact Mass3439.64
IUPAC NameN-[4-[2-fluoro-5-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-fluoro-5-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(5-fluoro-2-pyridinyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(6-fluoro-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[5-(4-isocyanophenyl)-2-methoxyphenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide;N-[4-[6-(4-isocyanophenyl)-2-pyridinyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(5-isocyano-2-pyridinyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1nc(-c2cccc(-c3ccc(F)cn3)c2)cs1.CSc1ncccc1C(=O)Nc1nc(-c2cccc(-c3ccc(F)nc3)c2)cs1.[C-]#[N+]c1ccc(-c2cc(F)cc(-c3csc(NC(=O)c4cccnc4SC)n3)c2)cc1.[C-]#[N+]c1ccc(-c2ccc(F)c(-c3csc(NC(=O)c4cccnc4SC)n3)c2)cc1.[C-]#[N+]c1ccc(-c2ccc(OC)c(-c3csc(NC(=O)c4cccnc4SC)n3)c2)cc1.[C-]#[N+]c1ccc(-c2cccc(-c3csc(NC(=O)C4CCCCC4)n3)c2)cc1.[C-]#[N+]c1ccc(-c2cccc(-c3csc(NC(=O)c4cccnc4SC)n3)c2)nc1.[C-]#[N+]c1ccc(-c2cccc(-c3csc(NC(=O)c4cccnc4SC)n3)n2)cc1
InChIInChI=1S/C24H18N4O2S2.2C23H15FN4OS2.C23H21N3OS.2C22H15N5OS2.2C21H15FN4OS2/c1-25-17-9-6-15(7-10-17)16-8-11-21(30-2)19(13-16)20-14-32-24(27-20)28-22(29)18-5-4-12-26-23(18)31-3;1-25-16-8-5-14(6-9-16)15-7-10-19(24)18(12-15)20-13-31-23(27-20)28-21(29)17-4-3-11-26-22(17)30-2;1-25-18-7-5-14(6-8-18)15-10-16(12-17(24)11-15)20-13-31-23(27-20)28-21(29)19-4-3-9-26-22(19)30-2;1-24-20-12-10-16(11-13-20)18-8-5-9-19(14-18)21-15-28-23(25-21)26-22(27)17-6-3-2-4-7-17;1-23-15-10-8-14(9-11-15)17-6-3-7-18(25-17)19-13-30-22(26-19)27-20(28)16-5-4-12-24-21(16)29-2;1-23-16-8-9-18(25-12-16)14-5-3-6-15(11-14)19-13-30-22(26-19)27-20(28)17-7-4-10-24-21(17)29-2;1-28-20-16(6-3-9-23-20)19(27)26-21-25-18(12-29-21)14-5-2-4-13(10-14)17-8-7-15(22)11-24-17;1-28-20-16(6-3-9-23-20)19(27)26-21-25-17(12-29-21)14-5-2-4-13(10-14)15-7-8-18(22)24-11-15/h4-14H,2-3H3,(H,27,28,29);2*3-13H,2H3,(H,27,28,29);5,8-15,17H,2-4,6-7H2,(H,25,26,27);2*3-13H,2H3,(H,26,27,28);2*2-12H,1H3,(H,25,26,27)
InChIKeyODMFWDYYMNNWOC-UHFFFAOYSA-N
XLogP48.37
TPSA513.10 Ų
H-Bond Donors8
H-Bond Acceptors43
Rotatable Bonds40
Heavy Atoms240
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003443.22
LogP ≤ 548.37
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze N-[4-[2-fluoro-5-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-fluoro-5-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(5-fluoro-2-pyridinyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(6-fluoro-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[5-(4-isocyanophenyl)-2-methoxyphenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide;N-[4-[6-(4-isocyanophenyl)-2-pyridinyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(5-isocyano-2-pyridinyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide with MolForge

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Related Compounds

N-ethyl-3-(3-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;N-ethyl-2-(3-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-ethyl-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-[3-(methanesulfonamido)phenyl]-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;[3-[2-[methyl-(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]phenyl] methanesulfonate;1-(4-pyridin-4-yl-1,3-thiazol-2-yl)-3-[3-(trifluoromethoxy)phenyl]piperidin-2-one
CID 157324030
1-[4-butoxy-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;bis(5-[2-(N-carbamoyl-4-heptoxyanilino)-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide);1-[4-(cyclohexylmethoxy)-3-fluorophenyl]-1-[4-(6-methyl-3-pyridinyl)-1,3-thiazol-2-yl]urea;1-[4-(cyclohexylmethoxy)-3-fluorophenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;3-cyclohexyl-1-(4-octoxyphenyl)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;1-(3-fluoro-4-pentoxyphenyl)-1-[4-(6-methyl-3-pyridinyl)-1,3-thiazol-2-yl]urea;1-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;1-[4-pentoxy-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
CID 157342364
2-amino-4-[7-(2-amino-[1,3]thiazolo[5,4-b]pyridin-6-yl)-9-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidine-5-carbonitrile;6-[4-(2-amino-6-methyl-5-propan-2-ylpyrimidin-4-yl)-9-methyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-3H-pyrrolo[3,2-b]pyridin-2-amine;6-[4-(2-amino-5-propan-2-ylpyrimidin-4-yl)-9-methyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;2-[7-(2-amino-[1,3]thiazolo[5,4-b]pyridin-6-yl)-9-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one;6-[4-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-9-methyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(3H-pyrrolo[3,2-b]pyridin-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-amine
CID 157880916
N-benzyl-2-[(6-methoxypyrimidin-4-yl)amino]-1,3-thiazole-4-carboxamide;N-benzyl-5-propan-2-yl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[(4-hexanoylphenyl)methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[2-(4-methoxyphenyl)ethyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide;2-(pyrimidin-4-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 158524932
1-[4-butoxy-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;bis(5-[2-(N-carbamoyl-4-heptoxyanilino)-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide);1-[4-(cyclohexylmethoxy)-3-fluorophenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;3-cyclohexyl-1-(4-octoxyphenyl)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;1-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
CID 159168726
N-[4-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)acetamide;N-[4-[2,4-difluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)acetamide;2-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-N-[4-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxopyrido[4,3-d]pyrimidin-5-yl)-N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide
CID 160287060
5-[2-[4-butoxy-N-carbamoyl-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide;1-[4-butoxy-3-(trifluoromethyl)phenyl]-1-[4-(6-methyl-3-pyridinyl)-1,3-thiazol-2-yl]urea;3,3-dimethyl-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide;1-[4-[methyl(pentyl)amino]-3-(trifluoromethyl)phenyl]-1-[4-(6-methyl-3-pyridinyl)-1,3-thiazol-2-yl]urea;1-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1-[4-(6-methyl-3-pyridinyl)-1,3-thiazol-2-yl]urea;1-[4-octoxy-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;1-[4-pentoxy-3-(trifluoromethyl)phenyl]-3-phenyl-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide
CID 161233442
N-[4-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)acetamide;N-[4-[2,4-difluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)acetamide;2-(1,3-dimethyl-2,4-dioxopyrido[4,3-d]pyrimidin-5-yl)-N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-N-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 161664258
3-(dimethylamino)-4-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;3-(dimethylamino)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;3-(dimethylamino)-N-[4-methyl-3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;4-(dimethylamino)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;4-[(4-methoxyphenyl)carbamoylamino]-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]benzamide
CID 161863980
(2S)-2-amino-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(3-hydroxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(2-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]acetamide;N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 162200641
N-benzyl-2-[(6-methoxypyrimidin-4-yl)amino]-1,3-thiazole-4-carboxamide;N-benzyl-5-propan-2-yl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyridin-4-ylamino)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[[4-(butylcarbamoyl)phenyl]methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[2-(4-methoxyphenyl)ethyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;2-(pyrimidin-4-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 163780760
5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1R)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 164986989

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-fluoro-5-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-fluoro-5-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(5-fluoro-2-pyridinyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(6-fluoro-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[5-(4-isocyanophenyl)-2-methoxyphenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide;N-[4-[6-(4-isocyanophenyl)-2-pyridinyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(5-isocyano-2-pyridinyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[4-[2-fluoro-5-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-fluoro-5-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(5-fluoro-2-pyridinyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(6-fluoro-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[5-(4-isocyanophenyl)-2-methoxyphenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide;N-[4-[6-(4-isocyanophenyl)-2-pyridinyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(5-isocyano-2-pyridinyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide (CID 159962263) is N-[4-[2-fluoro-5-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-fluoro-5-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(5-fluoro-2-pyridinyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(6-fluoro-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[5-(4-isocyanophenyl)-2-methoxyphenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide;N-[4-[6-(4-isocyanophenyl)-2-pyridinyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(5-isocyano-2-pyridinyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-[2-fluoro-5-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-fluoro-5-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(5-fluoro-2-pyridinyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(6-fluoro-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[5-(4-isocyanophenyl)-2-methoxyphenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide;N-[4-[6-(4-isocyanophenyl)-2-pyridinyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(5-isocyano-2-pyridinyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[4-[2-fluoro-5-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-fluoro-5-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(5-fluoro-2-pyridinyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(6-fluoro-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[5-(4-isocyanophenyl)-2-methoxyphenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide;N-[4-[6-(4-isocyanophenyl)-2-pyridinyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(5-isocyano-2-pyridinyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)Nc1nc(-c2cccc(-c3ccc(F)cn3)c2)cs1.CSc1ncccc1C(=O)Nc1nc(-c2cccc(-c3ccc(F)nc3)c2)cs1.[C-]#[N+]c1ccc(-c2cc(F)cc(-c3csc(NC(=O)c4cccnc4SC)n3)c2)cc1.[C-]#[N+]c1ccc(-c2ccc(F)c(-c3csc(NC(=O)c4cccnc4SC)n3)c2)cc1.[C-]#[N+]c1ccc(-c2ccc(OC)c(-c3csc(NC(=O)c4cccnc4SC)n3)c2)cc1.[C-]#[N+]c1ccc(-c2cccc(-c3csc(NC(=O)C4CCCCC4)n3)c2)cc1.[C-]#[N+]c1ccc(-c2cccc(-c3csc(NC(=O)c4cccnc4SC)n3)c2)nc1.[C-]#[N+]c1ccc(-c2cccc(-c3csc(NC(=O)c4cccnc4SC)n3)n2)cc1.
What is the InChIKey of N-[4-[2-fluoro-5-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-fluoro-5-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(5-fluoro-2-pyridinyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(6-fluoro-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[5-(4-isocyanophenyl)-2-methoxyphenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide;N-[4-[6-(4-isocyanophenyl)-2-pyridinyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(5-isocyano-2-pyridinyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is ODMFWDYYMNNWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2S2.2C23H15FN4OS2.C23H21N3OS.2C22H15N5OS2.2C21H15FN4OS2/c1-25-17-9-6-15(7-10-17)16-8-11-21(30-2)19(13-16)20-14-32-24(27-20)28-22(29)18-5-4-12-26-23(18)31-3;1-25-16-8-5-14(6-9-16)15-7-10-19(24)18(12-15)20-13-31-23(27-20)28-21(29)17-4-3-11-26-22(17)30-2;1-25-18-7-5-14(6-8-18)15-10-16(12-17(24)11-15)20-13-31-23(27-20)28-21(29)19-4-3-9-26-22(19)30-2;1-24-20-12-10-16(11-13-20)18-8-5-9-19(14-18)21-15-28-23(25-21)26-22(27)17-6-3-2-4-7-17;1-23-15-10-8-14(9-11-15)17-6-3-7-18(25-17)19-13-30-22(26-19)27-20(28)16-5-4-12-24-21(16)29-2;1-23-16-8-9-18(25-12-16)14-5-3-6-15(11-14)19-13-30-22(26-19)27-20(28)17-7-4-10-24-21(17)29-2;1-28-20-16(6-3-9-23-20)19(27)26-21-25-18(12-29-21)14-5-2-4-13(10-14)17-8-7-15(22)11-24-17;1-28-20-16(6-3-9-23-20)19(27)26-21-25-17(12-29-21)14-5-2-4-13(10-14)15-7-8-18(22)24-11-15/h4-14H,2-3H3,(H,27,28,29);2*3-13H,2H3,(H,27,28,29);5,8-15,17H,2-4,6-7H2,(H,25,26,27);2*3-13H,2H3,(H,26,27,28);2*2-12H,1H3,(H,25,26,27).
What are the key properties of N-[4-[2-fluoro-5-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-fluoro-5-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(5-fluoro-2-pyridinyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(6-fluoro-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[5-(4-isocyanophenyl)-2-methoxyphenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide;N-[4-[6-(4-isocyanophenyl)-2-pyridinyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(5-isocyano-2-pyridinyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide?
N-[4-[2-fluoro-5-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-fluoro-5-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(5-fluoro-2-pyridinyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(6-fluoro-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[5-(4-isocyanophenyl)-2-methoxyphenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide;N-[4-[6-(4-isocyanophenyl)-2-pyridinyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(5-isocyano-2-pyridinyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 3443.22 g/mol, XLogP of 48.37, 40 rotatable bonds, 8 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-fluoro-5-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-fluoro-5-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(5-fluoro-2-pyridinyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(6-fluoro-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[5-(4-isocyanophenyl)-2-methoxyphenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide;N-[4-[6-(4-isocyanophenyl)-2-pyridinyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide;N-[4-[3-(5-isocyano-2-pyridinyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 159962263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).