1-[5-cyclopropyl-2-(5-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-8-hydroxyoctane-1,7-dione;1-[5-cyclopropyl-2-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;1-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]-10-hydroxydecane-1,9-dione;4-[3-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-hydroxybenzamide;8-hydroxy-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)octane-1,7-dione;[(E)-5-octanoylsulfanylpent-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-5-octanoylsulfanylpent-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate;[(E)-5-sulfanylpent-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-5-sulfanylpent-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate

C198H240N18O28S22 — CID 158675069

IUPAC1-[5-cyclopropyl-2-(5-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-8-hydroxyoctane-1,7-dione;1-[5-cyclopropyl-2-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;1-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]-10-hydroxydecane-1,9-dione;4-[3-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-hydroxybenzamide;8-hydroxy-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)octane-1,7-dione;[(E)-5-octanoylsulfanylpent-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-5-octanoylsulfanylpent-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate;[(E)-5-sulfanylpent-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-5-sulfanylpent-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate
SMILESCC(C)[C@H](CC(=O)c1csc(-c2cscn2)n1)C(=O)OC/C=C/CCS.CCC(=O)CCCCCC(=O)c1nc(-c2nc(-c3ccccc3)cs2)sc1C1CC1.CCCCCCCC(=O)SCC/C=C/COC(=O)[C@@H](CC(=O)c1csc(-c2csc(C)n2)n1)C(C)C.CCCCCCCC(=O)SCC/C=C/COC(=O)[C@@H](CC(=O)c1csc(-c2cscn2)n1)C(C)C.Cc1nc(-c2nc(C(=O)C[C@H](C(=O)OC/C=C/CCS)C(C)C)cs2)cs1.O=C(CO)CCCCCC(=O)c1csc(-c2cccs2)n1.O=C(CO)CCCCCC(=O)c1nc(-c2ncc(-c3ccccc3)s2)sc1C1CC1.O=C(CO)CCCCCCCC(=O)c1nc(-c2nc3c(s2)CCCC3)sc1C1CC1.O=C(NO)c1ccc(CCC(=O)c2nc(-c3nc4c(s3)CCCC4)sc2C2CC2)cc1
InChIInChI=1S/C27H38N2O4S3.C26H36N2O4S3.C24H26N2O2S2.C23H23N3O3S2.C23H24N2O3S2.C23H30N2O3S2.C19H24N2O3S3.C18H22N2O3S3.C15H17NO3S2/c1-5-6-7-8-10-13-25(31)34-15-12-9-11-14-33-27(32)21(19(2)3)16-24(30)22-17-36-26(29-22)23-18-35-20(4)28-23;1-4-5-6-7-9-12-24(30)34-14-11-8-10-13-32-26(31)20(19(2)3)15-23(29)21-17-35-25(28-21)22-16-33-18-27-22;1-2-18(27)11-7-4-8-12-20(28)21-22(17-13-14-17)30-24(26-21)23-25-19(15-29-23)16-9-5-3-6-10-16;27-17(12-7-13-5-8-15(9-6-13)21(28)26-29)19-20(14-10-11-14)31-23(25-19)22-24-16-3-1-2-4-18(16)30-22;26-14-17(27)9-5-2-6-10-18(28)20-21(16-11-12-16)30-23(25-20)22-24-13-19(29-22)15-7-3-1-4-8-15;26-14-16(27)8-4-2-1-3-5-10-18(28)20-21(15-12-13-15)30-23(25-20)22-24-17-9-6-7-11-19(17)29-22;1-12(2)14(19(23)24-7-5-4-6-8-25)9-17(22)15-10-27-18(21-15)16-11-26-13(3)20-16;1-12(2)13(18(22)23-6-4-3-5-7-24)8-16(21)14-10-26-17(20-14)15-9-25-11-19-15;17-9-11(18)5-2-1-3-6-13(19)12-10-21-15(16-12)14-7-4-8-20-14/h9,11,17-19,21H,5-8,10,12-16H2,1-4H3;8,10,16-20H,4-7,9,11-15H2,1-3H3;3,5-6,9-10,15,17H,2,4,7-8,11-14H2,1H3;5-6,8-9,14,29H,1-4,7,10-12H2,(H,26,28);1,3-4,7-8,13,16,26H,2,5-6,9-12,14H2;15,26H,1-14H2;4-5,10-12,14,25H,6-9H2,1-3H3;3-4,9-13,24H,5-8H2,1-2H3;4,7-8,10,17H,1-3,5-6,9H2/b11-9+;10-8+;;;;;5-4+;4-3+;/t21-;20-;;;;;14-;13-;/m00....00./s1
InChIKeyIEKJCVUOGPRDAN-AQRQMXRWSA-N
MW4025.67 g/mol
LogP50.57
Rot. Bonds104

About 1-[5-cyclopropyl-2-(5-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-8-hydroxyoctane-1,7-dione;1-[5-cyclopropyl-2-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;1-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]-10-hydroxydecane-1,9-dione;4-[3-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-hydroxybenzamide;8-hydroxy-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)octane-1,7-dione;[(E)-5-octanoylsulfanylpent-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-5-octanoylsulfanylpent-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate;[(E)-5-sulfanylpent-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-5-sulfanylpent-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate

1-[5-cyclopropyl-2-(5-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-8-hydroxyoctane-1,7-dione;1-[5-cyclopropyl-2-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;1-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]-10-hydroxydecane-1,9-dione;4-[3-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-hydroxybenzamide;8-hydroxy-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)octane-1,7-dione;[(E)-5-octanoylsulfanylpent-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-5-octanoylsulfanylpent-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate;[(E)-5-sulfanylpent-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-5-sulfanylpent-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate (PubChem CID 158675069) has the molecular formula C198H240N18O28S22 and a molecular weight of 4025.67 g/mol. Its IUPAC name is 1-[5-cyclopropyl-2-(5-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-8-hydroxyoctane-1,7-dione;1-[5-cyclopropyl-2-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;1-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]-10-hydroxydecane-1,9-dione;4-[3-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-hydroxybenzamide;8-hydroxy-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)octane-1,7-dione;[(E)-5-octanoylsulfanylpent-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-5-octanoylsulfanylpent-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate;[(E)-5-sulfanylpent-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-5-sulfanylpent-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate.

Molecular Properties

Compound Name1-[5-cyclopropyl-2-(5-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-8-hydroxyoctane-1,7-dione;1-[5-cyclopropyl-2-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;1-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]-10-hydroxydecane-1,9-dione;4-[3-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-hydroxybenzamide;8-hydroxy-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)octane-1,7-dione;[(E)-5-octanoylsulfanylpent-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-5-octanoylsulfanylpent-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate;[(E)-5-sulfanylpent-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-5-sulfanylpent-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate
PubChem CID158675069
Molecular FormulaC198H240N18O28S22
Molecular Weight4025.67 g/mol
Exact Mass4021.18
IUPAC Name1-[5-cyclopropyl-2-(5-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-8-hydroxyoctane-1,7-dione;1-[5-cyclopropyl-2-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;1-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]-10-hydroxydecane-1,9-dione;4-[3-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-hydroxybenzamide;8-hydroxy-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)octane-1,7-dione;[(E)-5-octanoylsulfanylpent-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-5-octanoylsulfanylpent-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate;[(E)-5-sulfanylpent-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-5-sulfanylpent-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate
SMILESCC(C)[C@H](CC(=O)c1csc(-c2cscn2)n1)C(=O)OC/C=C/CCS.CCC(=O)CCCCCC(=O)c1nc(-c2nc(-c3ccccc3)cs2)sc1C1CC1.CCCCCCCC(=O)SCC/C=C/COC(=O)[C@@H](CC(=O)c1csc(-c2csc(C)n2)n1)C(C)C.CCCCCCCC(=O)SCC/C=C/COC(=O)[C@@H](CC(=O)c1csc(-c2cscn2)n1)C(C)C.Cc1nc(-c2nc(C(=O)C[C@H](C(=O)OC/C=C/CCS)C(C)C)cs2)cs1.O=C(CO)CCCCCC(=O)c1csc(-c2cccs2)n1.O=C(CO)CCCCCC(=O)c1nc(-c2ncc(-c3ccccc3)s2)sc1C1CC1.O=C(CO)CCCCCCCC(=O)c1nc(-c2nc3c(s2)CCCC3)sc1C1CC1.O=C(NO)c1ccc(CCC(=O)c2nc(-c3nc4c(s3)CCCC4)sc2C2CC2)cc1
InChIInChI=1S/C27H38N2O4S3.C26H36N2O4S3.C24H26N2O2S2.C23H23N3O3S2.C23H24N2O3S2.C23H30N2O3S2.C19H24N2O3S3.C18H22N2O3S3.C15H17NO3S2/c1-5-6-7-8-10-13-25(31)34-15-12-9-11-14-33-27(32)21(19(2)3)16-24(30)22-17-36-26(29-22)23-18-35-20(4)28-23;1-4-5-6-7-9-12-24(30)34-14-11-8-10-13-32-26(31)20(19(2)3)15-23(29)21-17-35-25(28-21)22-16-33-18-27-22;1-2-18(27)11-7-4-8-12-20(28)21-22(17-13-14-17)30-24(26-21)23-25-19(15-29-23)16-9-5-3-6-10-16;27-17(12-7-13-5-8-15(9-6-13)21(28)26-29)19-20(14-10-11-14)31-23(25-19)22-24-16-3-1-2-4-18(16)30-22;26-14-17(27)9-5-2-6-10-18(28)20-21(16-11-12-16)30-23(25-20)22-24-13-19(29-22)15-7-3-1-4-8-15;26-14-16(27)8-4-2-1-3-5-10-18(28)20-21(15-12-13-15)30-23(25-20)22-24-17-9-6-7-11-19(17)29-22;1-12(2)14(19(23)24-7-5-4-6-8-25)9-17(22)15-10-27-18(21-15)16-11-26-13(3)20-16;1-12(2)13(18(22)23-6-4-3-5-7-24)8-16(21)14-10-26-17(20-14)15-9-25-11-19-15;17-9-11(18)5-2-1-3-6-13(19)12-10-21-15(16-12)14-7-4-8-20-14/h9,11,17-19,21H,5-8,10,12-16H2,1-4H3;8,10,16-20H,4-7,9,11-15H2,1-3H3;3,5-6,9-10,15,17H,2,4,7-8,11-14H2,1H3;5-6,8-9,14,29H,1-4,7,10-12H2,(H,26,28);1,3-4,7-8,13,16,26H,2,5-6,9-12,14H2;15,26H,1-14H2;4-5,10-12,14,25H,6-9H2,1-3H3;3-4,9-13,24H,5-8H2,1-2H3;4,7-8,10,17H,1-3,5-6,9H2/b11-9+;10-8+;;;;;5-4+;4-3+;/t21-;20-;;;;;14-;13-;/m00....00./s1
InChIKeyIEKJCVUOGPRDAN-AQRQMXRWSA-N
XLogP50.57
TPSA690.40 Ų
H-Bond Donors7
H-Bond Acceptors67
Rotatable Bonds104
Heavy Atoms266
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004025.67
LogP ≤ 550.57
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1067

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[5-cyclopropyl-2-(5-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-8-hydroxyoctane-1,7-dione;1-[5-cyclopropyl-2-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;1-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]-10-hydroxydecane-1,9-dione;4-[3-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-hydroxybenzamide;8-hydroxy-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)octane-1,7-dione;[(E)-5-octanoylsulfanylpent-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-5-octanoylsulfanylpent-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate;[(E)-5-sulfanylpent-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-5-sulfanylpent-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-cyclopropyl-2-(5-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-8-hydroxyoctane-1,7-dione;1-[5-cyclopropyl-2-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;1-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]-10-hydroxydecane-1,9-dione;4-[3-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-hydroxybenzamide;8-hydroxy-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)octane-1,7-dione;[(E)-5-octanoylsulfanylpent-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-5-octanoylsulfanylpent-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate;[(E)-5-sulfanylpent-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-5-sulfanylpent-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate?
The IUPAC name of 1-[5-cyclopropyl-2-(5-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-8-hydroxyoctane-1,7-dione;1-[5-cyclopropyl-2-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;1-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]-10-hydroxydecane-1,9-dione;4-[3-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-hydroxybenzamide;8-hydroxy-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)octane-1,7-dione;[(E)-5-octanoylsulfanylpent-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-5-octanoylsulfanylpent-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate;[(E)-5-sulfanylpent-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-5-sulfanylpent-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate (CID 158675069) is 1-[5-cyclopropyl-2-(5-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-8-hydroxyoctane-1,7-dione;1-[5-cyclopropyl-2-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;1-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]-10-hydroxydecane-1,9-dione;4-[3-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-hydroxybenzamide;8-hydroxy-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)octane-1,7-dione;[(E)-5-octanoylsulfanylpent-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-5-octanoylsulfanylpent-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate;[(E)-5-sulfanylpent-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-5-sulfanylpent-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate.
What is the SMILES notation for 1-[5-cyclopropyl-2-(5-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-8-hydroxyoctane-1,7-dione;1-[5-cyclopropyl-2-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;1-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]-10-hydroxydecane-1,9-dione;4-[3-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-hydroxybenzamide;8-hydroxy-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)octane-1,7-dione;[(E)-5-octanoylsulfanylpent-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-5-octanoylsulfanylpent-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate;[(E)-5-sulfanylpent-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-5-sulfanylpent-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate?
The canonical SMILES for 1-[5-cyclopropyl-2-(5-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-8-hydroxyoctane-1,7-dione;1-[5-cyclopropyl-2-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;1-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]-10-hydroxydecane-1,9-dione;4-[3-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-hydroxybenzamide;8-hydroxy-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)octane-1,7-dione;[(E)-5-octanoylsulfanylpent-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-5-octanoylsulfanylpent-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate;[(E)-5-sulfanylpent-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-5-sulfanylpent-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate is CC(C)[C@H](CC(=O)c1csc(-c2cscn2)n1)C(=O)OC/C=C/CCS.CCC(=O)CCCCCC(=O)c1nc(-c2nc(-c3ccccc3)cs2)sc1C1CC1.CCCCCCCC(=O)SCC/C=C/COC(=O)[C@@H](CC(=O)c1csc(-c2csc(C)n2)n1)C(C)C.CCCCCCCC(=O)SCC/C=C/COC(=O)[C@@H](CC(=O)c1csc(-c2cscn2)n1)C(C)C.Cc1nc(-c2nc(C(=O)C[C@H](C(=O)OC/C=C/CCS)C(C)C)cs2)cs1.O=C(CO)CCCCCC(=O)c1csc(-c2cccs2)n1.O=C(CO)CCCCCC(=O)c1nc(-c2ncc(-c3ccccc3)s2)sc1C1CC1.O=C(CO)CCCCCCCC(=O)c1nc(-c2nc3c(s2)CCCC3)sc1C1CC1.O=C(NO)c1ccc(CCC(=O)c2nc(-c3nc4c(s3)CCCC4)sc2C2CC2)cc1.
What is the InChIKey of 1-[5-cyclopropyl-2-(5-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-8-hydroxyoctane-1,7-dione;1-[5-cyclopropyl-2-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;1-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]-10-hydroxydecane-1,9-dione;4-[3-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-hydroxybenzamide;8-hydroxy-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)octane-1,7-dione;[(E)-5-octanoylsulfanylpent-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-5-octanoylsulfanylpent-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate;[(E)-5-sulfanylpent-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-5-sulfanylpent-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate?
The InChIKey is IEKJCVUOGPRDAN-AQRQMXRWSA-N. The full InChI is InChI=1S/C27H38N2O4S3.C26H36N2O4S3.C24H26N2O2S2.C23H23N3O3S2.C23H24N2O3S2.C23H30N2O3S2.C19H24N2O3S3.C18H22N2O3S3.C15H17NO3S2/c1-5-6-7-8-10-13-25(31)34-15-12-9-11-14-33-27(32)21(19(2)3)16-24(30)22-17-36-26(29-22)23-18-35-20(4)28-23;1-4-5-6-7-9-12-24(30)34-14-11-8-10-13-32-26(31)20(19(2)3)15-23(29)21-17-35-25(28-21)22-16-33-18-27-22;1-2-18(27)11-7-4-8-12-20(28)21-22(17-13-14-17)30-24(26-21)23-25-19(15-29-23)16-9-5-3-6-10-16;27-17(12-7-13-5-8-15(9-6-13)21(28)26-29)19-20(14-10-11-14)31-23(25-19)22-24-16-3-1-2-4-18(16)30-22;26-14-17(27)9-5-2-6-10-18(28)20-21(16-11-12-16)30-23(25-20)22-24-13-19(29-22)15-7-3-1-4-8-15;26-14-16(27)8-4-2-1-3-5-10-18(28)20-21(15-12-13-15)30-23(25-20)22-24-17-9-6-7-11-19(17)29-22;1-12(2)14(19(23)24-7-5-4-6-8-25)9-17(22)15-10-27-18(21-15)16-11-26-13(3)20-16;1-12(2)13(18(22)23-6-4-3-5-7-24)8-16(21)14-10-26-17(20-14)15-9-25-11-19-15;17-9-11(18)5-2-1-3-6-13(19)12-10-21-15(16-12)14-7-4-8-20-14/h9,11,17-19,21H,5-8,10,12-16H2,1-4H3;8,10,16-20H,4-7,9,11-15H2,1-3H3;3,5-6,9-10,15,17H,2,4,7-8,11-14H2,1H3;5-6,8-9,14,29H,1-4,7,10-12H2,(H,26,28);1,3-4,7-8,13,16,26H,2,5-6,9-12,14H2;15,26H,1-14H2;4-5,10-12,14,25H,6-9H2,1-3H3;3-4,9-13,24H,5-8H2,1-2H3;4,7-8,10,17H,1-3,5-6,9H2/b11-9+;10-8+;;;;;5-4+;4-3+;/t21-;20-;;;;;14-;13-;/m00....00./s1.
What are the key properties of 1-[5-cyclopropyl-2-(5-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-8-hydroxyoctane-1,7-dione;1-[5-cyclopropyl-2-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;1-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]-10-hydroxydecane-1,9-dione;4-[3-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-hydroxybenzamide;8-hydroxy-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)octane-1,7-dione;[(E)-5-octanoylsulfanylpent-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-5-octanoylsulfanylpent-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate;[(E)-5-sulfanylpent-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-5-sulfanylpent-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate?
1-[5-cyclopropyl-2-(5-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-8-hydroxyoctane-1,7-dione;1-[5-cyclopropyl-2-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;1-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]-10-hydroxydecane-1,9-dione;4-[3-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-hydroxybenzamide;8-hydroxy-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)octane-1,7-dione;[(E)-5-octanoylsulfanylpent-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-5-octanoylsulfanylpent-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate;[(E)-5-sulfanylpent-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-5-sulfanylpent-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate has a molecular weight of 4025.67 g/mol, XLogP of 50.57, 104 rotatable bonds, 7 hydrogen bond donors, and 67 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-cyclopropyl-2-(5-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-8-hydroxyoctane-1,7-dione;1-[5-cyclopropyl-2-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]nonane-1,7-dione;1-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]-10-hydroxydecane-1,9-dione;4-[3-[5-cyclopropyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]-3-oxopropyl]-N-hydroxybenzamide;8-hydroxy-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)octane-1,7-dione;[(E)-5-octanoylsulfanylpent-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-5-octanoylsulfanylpent-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate;[(E)-5-sulfanylpent-2-enyl] (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanoate;[(E)-5-sulfanylpent-2-enyl] (2S)-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanoate is sourced from PubChem (CID 158675069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).