N-[(1R)-1-[4-(3-aminopropoxy)-6-oxopyran-2-yl]butyl]-2-(C,N-dimethylcarbonimidoyl)-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-[4-(diethylamino)-6-oxopyran-2-yl]butyl]-2-(C,N-dimethylcarbonimidoyl)-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(3-hydroxy-5-oxocyclohexa-1,3-dien-1-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-hydroxy-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-4-methyl-N-[(1R)-1-(4-methyl-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-6-oxopyran-2-yl]butyl]-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-N-[(1R)-1-(4-methyl-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide

C135H195N23O29S7 — CID 172940340

IUPACN-[(1R)-1-[4-(3-aminopropoxy)-6-oxopyran-2-yl]butyl]-2-(C,N-dimethylcarbonimidoyl)-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-[4-(diethylamino)-6-oxopyran-2-yl]butyl]-2-(C,N-dimethylcarbonimidoyl)-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(3-hydroxy-5-oxocyclohexa-1,3-dien-1-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-hydroxy-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-4-methyl-N-[(1R)-1-(4-methyl-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-6-oxopyran-2-yl]butyl]-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-N-[(1R)-1-(4-methyl-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide
SMILESCCC[C@@H](NC(=O)C1(C)CSC(/C(C)=N/C)=N1)C1=CC(O)=CC(=O)C1.CCC[C@@H](NC(=O)C1(C)CSC(/C(C)=N/C)=N1)c1cc(C)cc(=O)o1.CCC[C@@H](NC(=O)C1(C)CSC(/C(C)=N/C)=N1)c1cc(N(CC)CC)cc(=O)o1.CCC[C@@H](NC(=O)C1(C)CSC(/C(C)=N/C)=N1)c1cc(O)cc(=O)o1.CCC[C@@H](NC(=O)C1(C)CSC(/C(C)=N/C)=N1)c1cc(OCCCN)cc(=O)o1.CCC[C@@H](NC(=O)C1(C)CSC(/C(C)=N/O)=N1)c1cc(OCCOCCOCCOCC)cc(=O)o1.CCC[C@@H](NC(=O)C1(C)CSC(/C(C)=N\O)=N1)c1cc(C)cc(=O)o1
InChIInChI=1S/C24H37N3O8S.C21H32N4O3S.C20H30N4O4S.2C18H25N3O3S.2C17H23N3O4S/c1-5-7-19(25-23(29)24(4)16-36-22(26-24)17(3)27-30)20-14-18(15-21(28)35-20)34-13-12-33-11-10-32-9-8-31-6-2;1-7-10-16(17-11-15(12-18(26)28-17)25(8-2)9-3)23-20(27)21(5)13-29-19(24-21)14(4)22-6;1-5-7-15(16-10-14(11-17(25)28-16)27-9-6-8-21)23-19(26)20(3)12-29-18(24-20)13(2)22-4;1-6-7-13(14-8-11(2)9-15(22)24-14)20-17(23)18(4)10-25-16(21-18)12(3)19-5;1-5-6-15(12-7-13(22)9-14(23)8-12)20-17(24)18(3)10-25-16(21-18)11(2)19-4;1-5-6-12(13-7-11(21)8-14(22)24-13)19-16(23)17(3)9-25-15(20-17)10(2)18-4;1-5-6-12(13-7-10(2)8-14(21)24-13)18-16(22)17(4)9-25-15(19-17)11(3)20-23/h14-15,19,30H,5-13,16H2,1-4H3,(H,25,29);11-12,16H,7-10,13H2,1-6H3,(H,23,27);10-11,15H,5-9,12,21H2,1-4H3,(H,23,26);8-9,13H,6-7,10H2,1-5H3,(H,20,23);7,9,15,22H,5-6,8,10H2,1-4H3,(H,20,24);7-8,12,21H,5-6,9H2,1-4H3,(H,19,23);7-8,12,23H,5-6,9H2,1-4H3,(H,18,22)/b27-17+;22-14+;22-13+;19-12+;19-11+;18-10+;20-11-/t19-,24?;16-,21?;15-,20?;13-,18?;15-,18?;2*12-,17?/m1111111/s1
InChIKeyRDHIOAVBFOKLIA-WHFHPMCQSA-N
MW2828.65 g/mol
LogP19.02
Rot. Bonds60

About N-[(1R)-1-[4-(3-aminopropoxy)-6-oxopyran-2-yl]butyl]-2-(C,N-dimethylcarbonimidoyl)-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-[4-(diethylamino)-6-oxopyran-2-yl]butyl]-2-(C,N-dimethylcarbonimidoyl)-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(3-hydroxy-5-oxocyclohexa-1,3-dien-1-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-hydroxy-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-4-methyl-N-[(1R)-1-(4-methyl-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-6-oxopyran-2-yl]butyl]-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-N-[(1R)-1-(4-methyl-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide

N-[(1R)-1-[4-(3-aminopropoxy)-6-oxopyran-2-yl]butyl]-2-(C,N-dimethylcarbonimidoyl)-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-[4-(diethylamino)-6-oxopyran-2-yl]butyl]-2-(C,N-dimethylcarbonimidoyl)-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(3-hydroxy-5-oxocyclohexa-1,3-dien-1-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-hydroxy-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-4-methyl-N-[(1R)-1-(4-methyl-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-6-oxopyran-2-yl]butyl]-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-N-[(1R)-1-(4-methyl-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide (PubChem CID 172940340) has the molecular formula C135H195N23O29S7 and a molecular weight of 2828.65 g/mol. Its IUPAC name is N-[(1R)-1-[4-(3-aminopropoxy)-6-oxopyran-2-yl]butyl]-2-(C,N-dimethylcarbonimidoyl)-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-[4-(diethylamino)-6-oxopyran-2-yl]butyl]-2-(C,N-dimethylcarbonimidoyl)-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(3-hydroxy-5-oxocyclohexa-1,3-dien-1-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-hydroxy-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-4-methyl-N-[(1R)-1-(4-methyl-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-6-oxopyran-2-yl]butyl]-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-N-[(1R)-1-(4-methyl-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-(3-aminopropoxy)-6-oxopyran-2-yl]butyl]-2-(C,N-dimethylcarbonimidoyl)-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-[4-(diethylamino)-6-oxopyran-2-yl]butyl]-2-(C,N-dimethylcarbonimidoyl)-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(3-hydroxy-5-oxocyclohexa-1,3-dien-1-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-hydroxy-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-4-methyl-N-[(1R)-1-(4-methyl-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-6-oxopyran-2-yl]butyl]-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-N-[(1R)-1-(4-methyl-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide
PubChem CID172940340
Molecular FormulaC135H195N23O29S7
Molecular Weight2828.65 g/mol
Exact Mass2826.25
IUPAC NameN-[(1R)-1-[4-(3-aminopropoxy)-6-oxopyran-2-yl]butyl]-2-(C,N-dimethylcarbonimidoyl)-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-[4-(diethylamino)-6-oxopyran-2-yl]butyl]-2-(C,N-dimethylcarbonimidoyl)-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(3-hydroxy-5-oxocyclohexa-1,3-dien-1-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-hydroxy-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-4-methyl-N-[(1R)-1-(4-methyl-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-6-oxopyran-2-yl]butyl]-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-N-[(1R)-1-(4-methyl-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide
SMILESCCC[C@@H](NC(=O)C1(C)CSC(/C(C)=N/C)=N1)C1=CC(O)=CC(=O)C1.CCC[C@@H](NC(=O)C1(C)CSC(/C(C)=N/C)=N1)c1cc(C)cc(=O)o1.CCC[C@@H](NC(=O)C1(C)CSC(/C(C)=N/C)=N1)c1cc(N(CC)CC)cc(=O)o1.CCC[C@@H](NC(=O)C1(C)CSC(/C(C)=N/C)=N1)c1cc(O)cc(=O)o1.CCC[C@@H](NC(=O)C1(C)CSC(/C(C)=N/C)=N1)c1cc(OCCCN)cc(=O)o1.CCC[C@@H](NC(=O)C1(C)CSC(/C(C)=N/O)=N1)c1cc(OCCOCCOCCOCC)cc(=O)o1.CCC[C@@H](NC(=O)C1(C)CSC(/C(C)=N\O)=N1)c1cc(C)cc(=O)o1
InChIInChI=1S/C24H37N3O8S.C21H32N4O3S.C20H30N4O4S.2C18H25N3O3S.2C17H23N3O4S/c1-5-7-19(25-23(29)24(4)16-36-22(26-24)17(3)27-30)20-14-18(15-21(28)35-20)34-13-12-33-11-10-32-9-8-31-6-2;1-7-10-16(17-11-15(12-18(26)28-17)25(8-2)9-3)23-20(27)21(5)13-29-19(24-21)14(4)22-6;1-5-7-15(16-10-14(11-17(25)28-16)27-9-6-8-21)23-19(26)20(3)12-29-18(24-20)13(2)22-4;1-6-7-13(14-8-11(2)9-15(22)24-14)20-17(23)18(4)10-25-16(21-18)12(3)19-5;1-5-6-15(12-7-13(22)9-14(23)8-12)20-17(24)18(3)10-25-16(21-18)11(2)19-4;1-5-6-12(13-7-11(21)8-14(22)24-13)19-16(23)17(3)9-25-15(20-17)10(2)18-4;1-5-6-12(13-7-10(2)8-14(21)24-13)18-16(22)17(4)9-25-15(19-17)11(3)20-23/h14-15,19,30H,5-13,16H2,1-4H3,(H,25,29);11-12,16H,7-10,13H2,1-6H3,(H,23,27);10-11,15H,5-9,12,21H2,1-4H3,(H,23,26);8-9,13H,6-7,10H2,1-5H3,(H,20,23);7,9,15,22H,5-6,8,10H2,1-4H3,(H,20,24);7-8,12,21H,5-6,9H2,1-4H3,(H,19,23);7-8,12,23H,5-6,9H2,1-4H3,(H,18,22)/b27-17+;22-14+;22-13+;19-12+;19-11+;18-10+;20-11-/t19-,24?;16-,21?;15-,20?;13-,18?;15-,18?;2*12-,17?/m1111111/s1
InChIKeyRDHIOAVBFOKLIA-WHFHPMCQSA-N
XLogP19.02
TPSA731.40 Ų
H-Bond Donors12
H-Bond Acceptors52
Rotatable Bonds60
Heavy Atoms194
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002828.65
LogP ≤ 519.02
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1052

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(1R)-1-[4-(3-aminopropoxy)-6-oxopyran-2-yl]butyl]-2-(C,N-dimethylcarbonimidoyl)-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-[4-(diethylamino)-6-oxopyran-2-yl]butyl]-2-(C,N-dimethylcarbonimidoyl)-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(3-hydroxy-5-oxocyclohexa-1,3-dien-1-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-hydroxy-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-4-methyl-N-[(1R)-1-(4-methyl-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-6-oxopyran-2-yl]butyl]-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-N-[(1R)-1-(4-methyl-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

(4R)-N-[(E,1R)-1-[4-[(3R)-3-[[(4R)-4-amino-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-5H-1,3-thiazole-4-carbonyl]amino]-3-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-6-oxopyran-2-yl]propoxy]-6-oxo-1H-pyridin-2-yl]-5-[2-[(1R)-1-[[(4R)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-5H-1,3-thiazole-4-carbonyl]amino]butyl]-6-oxopyran-4-yl]pent-4-enyl]-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-5H-1,3-thiazole-4-carboxamide
CID 154956465
CID 172940339
CID 172940339
2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-ethenyl-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-ethoxy-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-heptoxy-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-(4-ethoxy-6-oxopyran-2-yl)butyl]-2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-(4-heptoxy-6-oxopyran-2-yl)butyl]-2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-(4-methoxy-6-oxopyran-2-yl)butyl]-4-methyl-2-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]-5H-1,3-thiazole-4-carboxamide
CID 172954009
(4R)-2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-ethenyl-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;(4R)-2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-ethoxy-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;(4R)-2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-heptoxy-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;(4R)-N-[(1R)-1-(4-ethoxy-6-oxopyran-2-yl)butyl]-2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;(4R)-N-[(1R)-1-(4-heptoxy-6-oxopyran-2-yl)butyl]-2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;(4R)-N-[(1R)-1-(4-methoxy-6-oxopyran-2-yl)butyl]-4-methyl-2-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]-5H-1,3-thiazole-4-carboxamide
CID 172954010
(4R)-N-[(1R)-1-[4-(3-aminopropoxy)-6-oxopyran-2-yl]butyl]-2-(C,N-dimethylcarbonimidoyl)-4-methyl-5H-1,3-thiazole-4-carboxamide;(4R)-N-[(1R)-1-[4-(diethylamino)-6-oxopyran-2-yl]butyl]-2-(C,N-dimethylcarbonimidoyl)-4-methyl-5H-1,3-thiazole-4-carboxamide;(4R)-2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(3-hydroxy-5-oxocyclohexa-1,3-dien-1-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;(4R)-2-(C,N-dimethylcarbonimidoyl)-4-methyl-N-[(1R)-1-(4-methyl-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide;(4R)-N-[(1R)-1-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-6-oxopyran-2-yl]butyl]-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-5H-1,3-thiazole-4-carboxamide
CID 172964286
(4R)-2-[(E)-N-butoxy-C-methylcarbonimidoyl]-N-[(1R)-1-(4-methoxy-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;(4R)-2-(C,N-dimethylcarbonimidoyl)-4-methyl-N-[(1R)-1-(5-oxo-3-prop-2-enoxycyclohexa-1,3-dien-1-yl)butyl]-5H-1,3-thiazole-4-carboxamide;(4R)-2-(C,N-dimethylcarbonimidoyl)-4-methyl-N-[(1R)-1-(6-oxo-4-prop-2-enylpyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide;(4R)-2-[N-[3-[2-(2-methoxyethoxy)ethoxy]-2-oxopropyl]-C-methylcarbonimidoyl]-4-methyl-N-[(1R)-1-(6-oxo-4-prop-2-enoxypyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide;(4R)-4-methyl-2-[C-methyl-N-[3-(4-methylpiperazin-1-yl)propoxy]carbonimidoyl]-N-[(1R)-1-(6-oxo-4-prop-2-enoxypyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide;(4R)-4-methyl-2-[C-methyl-N-(4-morpholin-4-ylbutoxy)carbonimidoyl]-N-[(1R)-1-(6-oxo-4-prop-2-enoxypyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide
CID 172982726
2-[(E)-N-butoxy-C-methylcarbonimidoyl]-N-[(1R)-1-(4-methoxy-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-4-methyl-N-[(1R)-1-(5-oxo-3-prop-2-enoxycyclohexa-1,3-dien-1-yl)butyl]-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-4-methyl-N-[(1R)-1-(6-oxo-4-prop-2-enylpyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide;2-[N-[3-[2-(2-methoxyethoxy)ethoxy]-2-oxopropyl]-C-methylcarbonimidoyl]-4-methyl-N-[(1R)-1-(6-oxo-4-prop-2-enoxypyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide;4-methyl-2-[C-methyl-N-[3-(4-methylpiperazin-1-yl)propoxy]carbonimidoyl]-N-[(1R)-1-(6-oxo-4-prop-2-enoxypyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide;4-methyl-2-[C-methyl-N-(4-morpholin-4-ylbutoxy)carbonimidoyl]-N-[(1R)-1-(6-oxo-4-prop-2-enoxypyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide
CID 172982727

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-(3-aminopropoxy)-6-oxopyran-2-yl]butyl]-2-(C,N-dimethylcarbonimidoyl)-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-[4-(diethylamino)-6-oxopyran-2-yl]butyl]-2-(C,N-dimethylcarbonimidoyl)-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(3-hydroxy-5-oxocyclohexa-1,3-dien-1-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-hydroxy-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-4-methyl-N-[(1R)-1-(4-methyl-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-6-oxopyran-2-yl]butyl]-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-N-[(1R)-1-(4-methyl-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(1R)-1-[4-(3-aminopropoxy)-6-oxopyran-2-yl]butyl]-2-(C,N-dimethylcarbonimidoyl)-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-[4-(diethylamino)-6-oxopyran-2-yl]butyl]-2-(C,N-dimethylcarbonimidoyl)-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(3-hydroxy-5-oxocyclohexa-1,3-dien-1-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-hydroxy-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-4-methyl-N-[(1R)-1-(4-methyl-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-6-oxopyran-2-yl]butyl]-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-N-[(1R)-1-(4-methyl-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide (CID 172940340) is N-[(1R)-1-[4-(3-aminopropoxy)-6-oxopyran-2-yl]butyl]-2-(C,N-dimethylcarbonimidoyl)-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-[4-(diethylamino)-6-oxopyran-2-yl]butyl]-2-(C,N-dimethylcarbonimidoyl)-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(3-hydroxy-5-oxocyclohexa-1,3-dien-1-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-hydroxy-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-4-methyl-N-[(1R)-1-(4-methyl-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-6-oxopyran-2-yl]butyl]-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-N-[(1R)-1-(4-methyl-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-[4-(3-aminopropoxy)-6-oxopyran-2-yl]butyl]-2-(C,N-dimethylcarbonimidoyl)-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-[4-(diethylamino)-6-oxopyran-2-yl]butyl]-2-(C,N-dimethylcarbonimidoyl)-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(3-hydroxy-5-oxocyclohexa-1,3-dien-1-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-hydroxy-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-4-methyl-N-[(1R)-1-(4-methyl-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-6-oxopyran-2-yl]butyl]-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-N-[(1R)-1-(4-methyl-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(1R)-1-[4-(3-aminopropoxy)-6-oxopyran-2-yl]butyl]-2-(C,N-dimethylcarbonimidoyl)-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-[4-(diethylamino)-6-oxopyran-2-yl]butyl]-2-(C,N-dimethylcarbonimidoyl)-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(3-hydroxy-5-oxocyclohexa-1,3-dien-1-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-hydroxy-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-4-methyl-N-[(1R)-1-(4-methyl-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-6-oxopyran-2-yl]butyl]-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-N-[(1R)-1-(4-methyl-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide is CCC[C@@H](NC(=O)C1(C)CSC(/C(C)=N/C)=N1)C1=CC(O)=CC(=O)C1.CCC[C@@H](NC(=O)C1(C)CSC(/C(C)=N/C)=N1)c1cc(C)cc(=O)o1.CCC[C@@H](NC(=O)C1(C)CSC(/C(C)=N/C)=N1)c1cc(N(CC)CC)cc(=O)o1.CCC[C@@H](NC(=O)C1(C)CSC(/C(C)=N/C)=N1)c1cc(O)cc(=O)o1.CCC[C@@H](NC(=O)C1(C)CSC(/C(C)=N/C)=N1)c1cc(OCCCN)cc(=O)o1.CCC[C@@H](NC(=O)C1(C)CSC(/C(C)=N/O)=N1)c1cc(OCCOCCOCCOCC)cc(=O)o1.CCC[C@@H](NC(=O)C1(C)CSC(/C(C)=N\O)=N1)c1cc(C)cc(=O)o1.
What is the InChIKey of N-[(1R)-1-[4-(3-aminopropoxy)-6-oxopyran-2-yl]butyl]-2-(C,N-dimethylcarbonimidoyl)-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-[4-(diethylamino)-6-oxopyran-2-yl]butyl]-2-(C,N-dimethylcarbonimidoyl)-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(3-hydroxy-5-oxocyclohexa-1,3-dien-1-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-hydroxy-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-4-methyl-N-[(1R)-1-(4-methyl-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-6-oxopyran-2-yl]butyl]-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-N-[(1R)-1-(4-methyl-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide?
The InChIKey is RDHIOAVBFOKLIA-WHFHPMCQSA-N. The full InChI is InChI=1S/C24H37N3O8S.C21H32N4O3S.C20H30N4O4S.2C18H25N3O3S.2C17H23N3O4S/c1-5-7-19(25-23(29)24(4)16-36-22(26-24)17(3)27-30)20-14-18(15-21(28)35-20)34-13-12-33-11-10-32-9-8-31-6-2;1-7-10-16(17-11-15(12-18(26)28-17)25(8-2)9-3)23-20(27)21(5)13-29-19(24-21)14(4)22-6;1-5-7-15(16-10-14(11-17(25)28-16)27-9-6-8-21)23-19(26)20(3)12-29-18(24-20)13(2)22-4;1-6-7-13(14-8-11(2)9-15(22)24-14)20-17(23)18(4)10-25-16(21-18)12(3)19-5;1-5-6-15(12-7-13(22)9-14(23)8-12)20-17(24)18(3)10-25-16(21-18)11(2)19-4;1-5-6-12(13-7-11(21)8-14(22)24-13)19-16(23)17(3)9-25-15(20-17)10(2)18-4;1-5-6-12(13-7-10(2)8-14(21)24-13)18-16(22)17(4)9-25-15(19-17)11(3)20-23/h14-15,19,30H,5-13,16H2,1-4H3,(H,25,29);11-12,16H,7-10,13H2,1-6H3,(H,23,27);10-11,15H,5-9,12,21H2,1-4H3,(H,23,26);8-9,13H,6-7,10H2,1-5H3,(H,20,23);7,9,15,22H,5-6,8,10H2,1-4H3,(H,20,24);7-8,12,21H,5-6,9H2,1-4H3,(H,19,23);7-8,12,23H,5-6,9H2,1-4H3,(H,18,22)/b27-17+;22-14+;22-13+;19-12+;19-11+;18-10+;20-11-/t19-,24?;16-,21?;15-,20?;13-,18?;15-,18?;2*12-,17?/m1111111/s1.
What are the key properties of N-[(1R)-1-[4-(3-aminopropoxy)-6-oxopyran-2-yl]butyl]-2-(C,N-dimethylcarbonimidoyl)-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-[4-(diethylamino)-6-oxopyran-2-yl]butyl]-2-(C,N-dimethylcarbonimidoyl)-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(3-hydroxy-5-oxocyclohexa-1,3-dien-1-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-hydroxy-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-4-methyl-N-[(1R)-1-(4-methyl-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-6-oxopyran-2-yl]butyl]-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-N-[(1R)-1-(4-methyl-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide?
N-[(1R)-1-[4-(3-aminopropoxy)-6-oxopyran-2-yl]butyl]-2-(C,N-dimethylcarbonimidoyl)-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-[4-(diethylamino)-6-oxopyran-2-yl]butyl]-2-(C,N-dimethylcarbonimidoyl)-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(3-hydroxy-5-oxocyclohexa-1,3-dien-1-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-hydroxy-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-4-methyl-N-[(1R)-1-(4-methyl-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-6-oxopyran-2-yl]butyl]-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-N-[(1R)-1-(4-methyl-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide has a molecular weight of 2828.65 g/mol, XLogP of 19.02, 60 rotatable bonds, 12 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-(3-aminopropoxy)-6-oxopyran-2-yl]butyl]-2-(C,N-dimethylcarbonimidoyl)-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-[4-(diethylamino)-6-oxopyran-2-yl]butyl]-2-(C,N-dimethylcarbonimidoyl)-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(3-hydroxy-5-oxocyclohexa-1,3-dien-1-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-hydroxy-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-4-methyl-N-[(1R)-1-(4-methyl-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-6-oxopyran-2-yl]butyl]-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-N-[(1R)-1-(4-methyl-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 172940340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).