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

C133H130Cl7N31O7S4 — CID 163595189

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;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
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(NCc2cnc(-c3ccc(OC(C)C)c(Cl)c3)s2)cc(Cl)n1.Cc1cc(SCc2nc3ccc(Oc4ccccc4)cc3[nH]2)ccn1.Cc1nc(N)cc(SCc2cn(-c3ccc(Oc4ccccc4)cc3)nn2)n1.[C-]#[N+]c1cc(NCc2cnc(-c3ccc(OC(C)C)c(Cl)c3)s2)ccn1
InChIInChI=1S/C20H18N6OS.C20H17N3OS.C19H19Cl2N3OS.C19H20ClN5O.C19H17ClN4OS.C18H19Cl2N5O.C18H20ClN5O/c1-14-22-19(21)11-20(23-14)28-13-15-12-26(25-24-15)16-7-9-18(10-8-16)27-17-5-3-2-4-6-17;1-14-11-17(9-10-21-14)25-13-20-22-18-8-7-16(12-19(18)23-20)24-15-5-3-2-4-6-15;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/h2-12H,13H2,1H3,(H2,21,22,23);2-12H,13H2,1H3,(H,22,23);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)
InChIKeyGSVIPYYFQSFYIO-UHFFFAOYSA-N
MW2651.15 g/mol
LogP34.28
Rot. Bonds41

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;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

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 (PubChem CID 163595189) has the molecular formula C133H130Cl7N31O7S4 and a molecular weight of 2651.15 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;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.

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;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
PubChem CID163595189
Molecular FormulaC133H130Cl7N31O7S4
Molecular Weight2651.15 g/mol
Exact Mass2645.75
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;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
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(NCc2cnc(-c3ccc(OC(C)C)c(Cl)c3)s2)cc(Cl)n1.Cc1cc(SCc2nc3ccc(Oc4ccccc4)cc3[nH]2)ccn1.Cc1nc(N)cc(SCc2cn(-c3ccc(Oc4ccccc4)cc3)nn2)n1.[C-]#[N+]c1cc(NCc2cnc(-c3ccc(OC(C)C)c(Cl)c3)s2)ccn1
InChIInChI=1S/C20H18N6OS.C20H17N3OS.C19H19Cl2N3OS.C19H20ClN5O.C19H17ClN4OS.C18H19Cl2N5O.C18H20ClN5O/c1-14-22-19(21)11-20(23-14)28-13-15-12-26(25-24-15)16-7-9-18(10-8-16)27-17-5-3-2-4-6-17;1-14-11-17(9-10-21-14)25-13-20-22-18-8-7-16(12-19(18)23-20)24-15-5-3-2-4-6-15;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/h2-12H,13H2,1H3,(H2,21,22,23);2-12H,13H2,1H3,(H,22,23);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)
InChIKeyGSVIPYYFQSFYIO-UHFFFAOYSA-N
XLogP34.28
TPSA435.56 Ų
H-Bond Donors7
H-Bond Acceptors40
Rotatable Bonds41
Heavy Atoms182
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002651.15
LogP ≤ 534.28
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1040

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;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 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
CID 161044195
CID 161044195
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
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

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;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?
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;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) 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;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.
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;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?
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;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 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(NCc2cnc(-c3ccc(OC(C)C)c(Cl)c3)s2)cc(Cl)n1.Cc1cc(SCc2nc3ccc(Oc4ccccc4)cc3[nH]2)ccn1.Cc1nc(N)cc(SCc2cn(-c3ccc(Oc4ccccc4)cc3)nn2)n1.[C-]#[N+]c1cc(NCc2cnc(-c3ccc(OC(C)C)c(Cl)c3)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;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?
The InChIKey is GSVIPYYFQSFYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6OS.C20H17N3OS.C19H19Cl2N3OS.C19H20ClN5O.C19H17ClN4OS.C18H19Cl2N5O.C18H20ClN5O/c1-14-22-19(21)11-20(23-14)28-13-15-12-26(25-24-15)16-7-9-18(10-8-16)27-17-5-3-2-4-6-17;1-14-11-17(9-10-21-14)25-13-20-22-18-8-7-16(12-19(18)23-20)24-15-5-3-2-4-6-15;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/h2-12H,13H2,1H3,(H2,21,22,23);2-12H,13H2,1H3,(H,22,23);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;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?
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 has a molecular weight of 2651.15 g/mol, XLogP of 34.28, 41 rotatable bonds, 7 hydrogen bond donors, and 40 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;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 is sourced from PubChem (CID 163595189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).