2-chloro-N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-6-methylpyridin-4-amine;2-chloro-N-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methyl]-6-methylpyridin-4-amine;N-[[1-(3-chloro-4-cyclobutyloxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-chloro-6-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-2-isocyanopyridin-4-amine;N-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-isocyano-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine

C136H129Cl8N31O7S3 — CID 163582300

IUPAC2-chloro-N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-6-methylpyridin-4-amine;2-chloro-N-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methyl]-6-methylpyridin-4-amine;N-[[1-(3-chloro-4-cyclobutyloxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-chloro-6-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-2-isocyanopyridin-4-amine;N-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-isocyano-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine
SMILESCc1cc(NCc2cn(-c3ccc(OC(C)C)c(Cl)c3)nn2)cc(Cl)n1.Cc1cc(NCc2cn(-c3ccc(OC(C)C)c(Cl)c3)nn2)ccn1.Cc1cc(NCc2cn(-c3ccc(OC4CCC4)c(Cl)c3)nn2)ccn1.Cc1cc(NCc2cn(-c3ccc(Oc4ccccc4)cc3)nn2)cc(Cl)n1.Cc1cc(NCc2cnc(-c3ccc(OC(C)C)c(Cl)c3)s2)cc(Cl)n1.[C-]#[N+]c1cc(NCc2cnc(-c3ccc(OC(C)C)c(Cl)c3)s2)ccn1.[C-]#[N+]c1cc(NCc2cnc(-c3ccc(Oc4ccccc4)cc3)s2)ccn1
InChIInChI=1S/C22H16N4OS.C21H18ClN5O.C19H19Cl2N3OS.C19H20ClN5O.C19H17ClN4OS.C18H19Cl2N5O.C18H20ClN5O/c1-23-21-13-17(11-12-24-21)25-14-20-15-26-22(28-20)16-7-9-19(10-8-16)27-18-5-3-2-4-6-18;1-15-11-16(12-21(22)24-15)23-13-17-14-27(26-25-17)18-7-9-20(10-8-18)28-19-5-3-2-4-6-19;1-11(2)25-17-5-4-13(7-16(17)20)19-23-10-15(26-19)9-22-14-6-12(3)24-18(21)8-14;1-13-9-14(7-8-21-13)22-11-15-12-25(24-23-15)16-5-6-19(18(20)10-16)26-17-3-2-4-17;1-12(2)25-17-5-4-13(8-16(17)20)19-24-11-15(26-19)10-23-14-6-7-22-18(9-14)21-3;1-11(2)26-17-5-4-15(8-16(17)19)25-10-14(23-24-25)9-21-13-6-12(3)22-18(20)7-13;1-12(2)25-18-5-4-16(9-17(18)19)24-11-15(22-23-24)10-21-14-6-7-20-13(3)8-14/h2-13,15H,14H2,(H,24,25);2-12,14H,13H2,1H3,(H,23,24);4-8,10-11H,9H2,1-3H3,(H,22,24);5-10,12,17H,2-4,11H2,1H3,(H,21,22);4-9,11-12H,10H2,1-2H3,(H,22,23);4-8,10-11H,9H2,1-3H3,(H,21,22);4-9,11-12H,10H2,1-3H3,(H,20,21)
InChIKeyGIOLSPPARGFYBO-UHFFFAOYSA-N
MW2689.56 g/mol
LogP36.08
Rot. Bonds42

About 2-chloro-N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-6-methylpyridin-4-amine;2-chloro-N-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methyl]-6-methylpyridin-4-amine;N-[[1-(3-chloro-4-cyclobutyloxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-chloro-6-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-2-isocyanopyridin-4-amine;N-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-isocyano-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine

2-chloro-N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-6-methylpyridin-4-amine;2-chloro-N-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methyl]-6-methylpyridin-4-amine;N-[[1-(3-chloro-4-cyclobutyloxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-chloro-6-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-2-isocyanopyridin-4-amine;N-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-isocyano-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine (PubChem CID 163582300) has the molecular formula C136H129Cl8N31O7S3 and a molecular weight of 2689.56 g/mol. Its IUPAC name is 2-chloro-N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-6-methylpyridin-4-amine;2-chloro-N-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methyl]-6-methylpyridin-4-amine;N-[[1-(3-chloro-4-cyclobutyloxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-chloro-6-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-2-isocyanopyridin-4-amine;N-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-isocyano-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-6-methylpyridin-4-amine;2-chloro-N-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methyl]-6-methylpyridin-4-amine;N-[[1-(3-chloro-4-cyclobutyloxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-chloro-6-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-2-isocyanopyridin-4-amine;N-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-isocyano-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine
PubChem CID163582300
Molecular FormulaC136H129Cl8N31O7S3
Molecular Weight2689.56 g/mol
Exact Mass2683.74
IUPAC Name2-chloro-N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-6-methylpyridin-4-amine;2-chloro-N-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methyl]-6-methylpyridin-4-amine;N-[[1-(3-chloro-4-cyclobutyloxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-chloro-6-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-2-isocyanopyridin-4-amine;N-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-isocyano-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine
SMILESCc1cc(NCc2cn(-c3ccc(OC(C)C)c(Cl)c3)nn2)cc(Cl)n1.Cc1cc(NCc2cn(-c3ccc(OC(C)C)c(Cl)c3)nn2)ccn1.Cc1cc(NCc2cn(-c3ccc(OC4CCC4)c(Cl)c3)nn2)ccn1.Cc1cc(NCc2cn(-c3ccc(Oc4ccccc4)cc3)nn2)cc(Cl)n1.Cc1cc(NCc2cnc(-c3ccc(OC(C)C)c(Cl)c3)s2)cc(Cl)n1.[C-]#[N+]c1cc(NCc2cnc(-c3ccc(OC(C)C)c(Cl)c3)s2)ccn1.[C-]#[N+]c1cc(NCc2cnc(-c3ccc(Oc4ccccc4)cc3)s2)ccn1
InChIInChI=1S/C22H16N4OS.C21H18ClN5O.C19H19Cl2N3OS.C19H20ClN5O.C19H17ClN4OS.C18H19Cl2N5O.C18H20ClN5O/c1-23-21-13-17(11-12-24-21)25-14-20-15-26-22(28-20)16-7-9-19(10-8-16)27-18-5-3-2-4-6-18;1-15-11-16(12-21(22)24-15)23-13-17-14-27(26-25-17)18-7-9-20(10-8-18)28-19-5-3-2-4-6-19;1-11(2)25-17-5-4-13(7-16(17)20)19-23-10-15(26-19)9-22-14-6-12(3)24-18(21)8-14;1-13-9-14(7-8-21-13)22-11-15-12-25(24-23-15)16-5-6-19(18(20)10-16)26-17-3-2-4-17;1-12(2)25-17-5-4-13(8-16(17)20)19-24-11-15(26-19)10-23-14-6-7-22-18(9-14)21-3;1-11(2)26-17-5-4-15(8-16(17)19)25-10-14(23-24-25)9-21-13-6-12(3)22-18(20)7-13;1-12(2)25-18-5-4-16(9-17(18)19)24-11-15(22-23-24)10-21-14-6-7-20-13(3)8-14/h2-13,15H,14H2,(H,24,25);2-12,14H,13H2,1H3,(H,23,24);4-8,10-11H,9H2,1-3H3,(H,22,24);5-10,12,17H,2-4,11H2,1H3,(H,21,22);4-9,11-12H,10H2,1-2H3,(H,22,23);4-8,10-11H,9H2,1-3H3,(H,21,22);4-9,11-12H,10H2,1-3H3,(H,20,21)
InChIKeyGIOLSPPARGFYBO-UHFFFAOYSA-N
XLogP36.08
TPSA409.28 Ų
H-Bond Donors7
H-Bond Acceptors39
Rotatable Bonds42
Heavy Atoms185
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002689.56
LogP ≤ 536.08
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-6-methylpyridin-4-amine;2-chloro-N-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methyl]-6-methylpyridin-4-amine;N-[[1-(3-chloro-4-cyclobutyloxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-chloro-6-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-2-isocyanopyridin-4-amine;N-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-isocyano-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

2-chloro-N-[[1-[4-[(2-fluoro-3-pyridinyl)oxy]phenyl]triazol-4-yl]methyl]-6-methylpyridin-4-amine;N-[[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpyridin-4-amine;N-[[1-(3-chloro-4-methoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;4-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methylamino]-6-isocyanopyridine-2-carbonitrile;2,6-dichloro-N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine;N-[[1-[4-(2-fluorophenoxy)phenyl]triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-isocyano-N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-4-amine
CID 163619576
2-chloro-6-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;N-[[1-(3-chloro-4-phenoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpyridin-4-amine;N-[[1-(3-fluoro-4-phenoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-isocyano-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine;2-methyl-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine;2-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;2-methyl-N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine
CID 163471116
N-[[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpyridin-4-amine;N-[[1-(3-chloro-4-methoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;N-[[1-(3-chloro-4-phenoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpyridin-4-amine;N-[[1-(3-fluoro-4-phenoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-methyl-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine;2-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;2-methyl-N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine
CID 163502381
2-chloro-N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-6-methylpyridin-4-amine;2-chloro-N-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methyl]-6-methylpyridin-4-amine;N-[[1-(3-chloro-4-cyclobutyloxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-2-isocyanopyridin-4-amine;N-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-methyl-6-[[1-(4-phenoxyphenyl)triazol-4-yl]methylsulfanyl]pyrimidin-4-amine;2-[(2-methyl-4-pyridinyl)sulfanylmethyl]-6-phenoxy-1H-benzimidazole
CID 163595189

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-6-methylpyridin-4-amine;2-chloro-N-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methyl]-6-methylpyridin-4-amine;N-[[1-(3-chloro-4-cyclobutyloxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-chloro-6-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-2-isocyanopyridin-4-amine;N-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-isocyano-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine?
The IUPAC name of 2-chloro-N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-6-methylpyridin-4-amine;2-chloro-N-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methyl]-6-methylpyridin-4-amine;N-[[1-(3-chloro-4-cyclobutyloxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-chloro-6-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-2-isocyanopyridin-4-amine;N-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-isocyano-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine (CID 163582300) is 2-chloro-N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-6-methylpyridin-4-amine;2-chloro-N-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methyl]-6-methylpyridin-4-amine;N-[[1-(3-chloro-4-cyclobutyloxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-chloro-6-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-2-isocyanopyridin-4-amine;N-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-isocyano-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-6-methylpyridin-4-amine;2-chloro-N-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methyl]-6-methylpyridin-4-amine;N-[[1-(3-chloro-4-cyclobutyloxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-chloro-6-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-2-isocyanopyridin-4-amine;N-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-isocyano-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine?
The canonical SMILES for 2-chloro-N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-6-methylpyridin-4-amine;2-chloro-N-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methyl]-6-methylpyridin-4-amine;N-[[1-(3-chloro-4-cyclobutyloxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-chloro-6-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-2-isocyanopyridin-4-amine;N-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-isocyano-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine is Cc1cc(NCc2cn(-c3ccc(OC(C)C)c(Cl)c3)nn2)cc(Cl)n1.Cc1cc(NCc2cn(-c3ccc(OC(C)C)c(Cl)c3)nn2)ccn1.Cc1cc(NCc2cn(-c3ccc(OC4CCC4)c(Cl)c3)nn2)ccn1.Cc1cc(NCc2cn(-c3ccc(Oc4ccccc4)cc3)nn2)cc(Cl)n1.Cc1cc(NCc2cnc(-c3ccc(OC(C)C)c(Cl)c3)s2)cc(Cl)n1.[C-]#[N+]c1cc(NCc2cnc(-c3ccc(OC(C)C)c(Cl)c3)s2)ccn1.[C-]#[N+]c1cc(NCc2cnc(-c3ccc(Oc4ccccc4)cc3)s2)ccn1.
What is the InChIKey of 2-chloro-N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-6-methylpyridin-4-amine;2-chloro-N-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methyl]-6-methylpyridin-4-amine;N-[[1-(3-chloro-4-cyclobutyloxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-chloro-6-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-2-isocyanopyridin-4-amine;N-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-isocyano-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine?
The InChIKey is GIOLSPPARGFYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4OS.C21H18ClN5O.C19H19Cl2N3OS.C19H20ClN5O.C19H17ClN4OS.C18H19Cl2N5O.C18H20ClN5O/c1-23-21-13-17(11-12-24-21)25-14-20-15-26-22(28-20)16-7-9-19(10-8-16)27-18-5-3-2-4-6-18;1-15-11-16(12-21(22)24-15)23-13-17-14-27(26-25-17)18-7-9-20(10-8-18)28-19-5-3-2-4-6-19;1-11(2)25-17-5-4-13(7-16(17)20)19-23-10-15(26-19)9-22-14-6-12(3)24-18(21)8-14;1-13-9-14(7-8-21-13)22-11-15-12-25(24-23-15)16-5-6-19(18(20)10-16)26-17-3-2-4-17;1-12(2)25-17-5-4-13(8-16(17)20)19-24-11-15(26-19)10-23-14-6-7-22-18(9-14)21-3;1-11(2)26-17-5-4-15(8-16(17)19)25-10-14(23-24-25)9-21-13-6-12(3)22-18(20)7-13;1-12(2)25-18-5-4-16(9-17(18)19)24-11-15(22-23-24)10-21-14-6-7-20-13(3)8-14/h2-13,15H,14H2,(H,24,25);2-12,14H,13H2,1H3,(H,23,24);4-8,10-11H,9H2,1-3H3,(H,22,24);5-10,12,17H,2-4,11H2,1H3,(H,21,22);4-9,11-12H,10H2,1-2H3,(H,22,23);4-8,10-11H,9H2,1-3H3,(H,21,22);4-9,11-12H,10H2,1-3H3,(H,20,21).
What are the key properties of 2-chloro-N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-6-methylpyridin-4-amine;2-chloro-N-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methyl]-6-methylpyridin-4-amine;N-[[1-(3-chloro-4-cyclobutyloxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-chloro-6-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-2-isocyanopyridin-4-amine;N-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-isocyano-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine?
2-chloro-N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-6-methylpyridin-4-amine;2-chloro-N-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methyl]-6-methylpyridin-4-amine;N-[[1-(3-chloro-4-cyclobutyloxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-chloro-6-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-2-isocyanopyridin-4-amine;N-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-isocyano-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine has a molecular weight of 2689.56 g/mol, XLogP of 36.08, 42 rotatable bonds, 7 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-6-methylpyridin-4-amine;2-chloro-N-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methyl]-6-methylpyridin-4-amine;N-[[1-(3-chloro-4-cyclobutyloxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-chloro-6-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-2-isocyanopyridin-4-amine;N-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-isocyano-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine is sourced from PubChem (CID 163582300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).