N-(1,3-benzothiazol-2-yl)-2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(6-methoxy-5-methyl-1,3-benzothiazol-2-yl)acetamide;2-[(5-chloro-4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide;bis(2-[(5-chloro-4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methylphenyl)acetamide);2-[(5-chloro-4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(6-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide;methane

C135H121Cl6FN32O14S10 — CID 157056016

IUPACN-(1,3-benzothiazol-2-yl)-2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(6-methoxy-5-methyl-1,3-benzothiazol-2-yl)acetamide;2-[(5-chloro-4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide;bis(2-[(5-chloro-4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methylphenyl)acetamide);2-[(5-chloro-4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(6-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide;methane
SMILESC.COc1cc(NC(=O)CSC2=Nc3cnc(Cl)c(C)c3C2)ccc1C.COc1cc2sc(NC(=O)CSc3nc4cc(Cl)ncc4[nH]3)nc2cc1C.Cc1ccc(NC(=O)CSC2=Nc3cnc(Cl)c(C)c3C2)cc1F.Cc1ccc(NC(=O)CSC2=Nc3cnc(Cl)c(C)c3C2)cc1O.Cc1ccc(NC(=O)CSC2=Nc3cnc(Cl)c(C)c3C2)cc1O.O=C(CSc1nc2cc(Cl)ncc2[nH]1)Nc1nc2ccccc2s1.[C-]#[N+]c1cc2nc(SCC(=O)Nc3ccc(C)c(O)c3)[nH]c2cn1.[C-]#[N+]c1cc2nc(SCC(=O)Nc3ccc(C)c(OC)c3)[nH]c2cn1
InChIInChI=1S/C18H18ClN3O2S.C17H15ClFN3OS.C17H14ClN5O2S2.2C17H16ClN3O2S.C17H15N5O2S.C16H13N5O2S.C15H10ClN5OS2.CH4/c1-10-4-5-12(6-15(10)24-3)21-16(23)9-25-17-7-13-11(2)18(19)20-8-14(13)22-17;1-9-3-4-11(5-13(9)19)21-15(23)8-24-16-6-12-10(2)17(18)20-7-14(12)22-16;1-8-3-10-13(5-12(8)25-2)27-17(21-10)23-15(24)7-26-16-20-9-4-14(18)19-6-11(9)22-16;2*1-9-3-4-11(5-14(9)22)20-15(23)8-24-16-6-12-10(2)17(18)19-7-13(12)21-16;1-10-4-5-11(6-14(10)24-3)20-16(23)9-25-17-21-12-7-15(18-2)19-8-13(12)22-17;1-9-3-4-10(5-13(9)22)19-15(23)8-24-16-20-11-6-14(17-2)18-7-12(11)21-16;16-12-5-9-10(6-17-12)20-14(19-9)23-7-13(22)21-15-18-8-3-1-2-4-11(8)24-15;/h4-6,8H,7,9H2,1-3H3,(H,21,23);3-5,7H,6,8H2,1-2H3,(H,21,23);3-6H,7H2,1-2H3,(H,20,22)(H,21,23,24);2*3-5,7,22H,6,8H2,1-2H3,(H,20,23);4-8H,9H2,1,3H3,(H,20,23)(H,21,22);3-7,22H,8H2,1H3,(H,19,23)(H,20,21);1-6H,7H2,(H,19,20)(H,18,21,22);1H4
InChIKeyAATMSKMIMSQHKA-UHFFFAOYSA-N
MW2968.05 g/mol
LogP32.47
Rot. Bonds31

About N-(1,3-benzothiazol-2-yl)-2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(6-methoxy-5-methyl-1,3-benzothiazol-2-yl)acetamide;2-[(5-chloro-4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide;bis(2-[(5-chloro-4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methylphenyl)acetamide);2-[(5-chloro-4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(6-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide;methane

N-(1,3-benzothiazol-2-yl)-2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(6-methoxy-5-methyl-1,3-benzothiazol-2-yl)acetamide;2-[(5-chloro-4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide;bis(2-[(5-chloro-4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methylphenyl)acetamide);2-[(5-chloro-4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(6-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide;methane (PubChem CID 157056016) has the molecular formula C135H121Cl6FN32O14S10 and a molecular weight of 2968.05 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(6-methoxy-5-methyl-1,3-benzothiazol-2-yl)acetamide;2-[(5-chloro-4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide;bis(2-[(5-chloro-4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methylphenyl)acetamide);2-[(5-chloro-4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(6-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide;methane.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(6-methoxy-5-methyl-1,3-benzothiazol-2-yl)acetamide;2-[(5-chloro-4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide;bis(2-[(5-chloro-4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methylphenyl)acetamide);2-[(5-chloro-4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(6-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide;methane
PubChem CID157056016
Molecular FormulaC135H121Cl6FN32O14S10
Molecular Weight2968.05 g/mol
Exact Mass2962.51
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(6-methoxy-5-methyl-1,3-benzothiazol-2-yl)acetamide;2-[(5-chloro-4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide;bis(2-[(5-chloro-4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methylphenyl)acetamide);2-[(5-chloro-4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(6-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide;methane
SMILESC.COc1cc(NC(=O)CSC2=Nc3cnc(Cl)c(C)c3C2)ccc1C.COc1cc2sc(NC(=O)CSc3nc4cc(Cl)ncc4[nH]3)nc2cc1C.Cc1ccc(NC(=O)CSC2=Nc3cnc(Cl)c(C)c3C2)cc1F.Cc1ccc(NC(=O)CSC2=Nc3cnc(Cl)c(C)c3C2)cc1O.Cc1ccc(NC(=O)CSC2=Nc3cnc(Cl)c(C)c3C2)cc1O.O=C(CSc1nc2cc(Cl)ncc2[nH]1)Nc1nc2ccccc2s1.[C-]#[N+]c1cc2nc(SCC(=O)Nc3ccc(C)c(O)c3)[nH]c2cn1.[C-]#[N+]c1cc2nc(SCC(=O)Nc3ccc(C)c(OC)c3)[nH]c2cn1
InChIInChI=1S/C18H18ClN3O2S.C17H15ClFN3OS.C17H14ClN5O2S2.2C17H16ClN3O2S.C17H15N5O2S.C16H13N5O2S.C15H10ClN5OS2.CH4/c1-10-4-5-12(6-15(10)24-3)21-16(23)9-25-17-7-13-11(2)18(19)20-8-14(13)22-17;1-9-3-4-11(5-13(9)19)21-15(23)8-24-16-6-12-10(2)17(18)20-7-14(12)22-16;1-8-3-10-13(5-12(8)25-2)27-17(21-10)23-15(24)7-26-16-20-9-4-14(18)19-6-11(9)22-16;2*1-9-3-4-11(5-14(9)22)20-15(23)8-24-16-6-12-10(2)17(18)19-7-13(12)21-16;1-10-4-5-11(6-14(10)24-3)20-16(23)9-25-17-21-12-7-15(18-2)19-8-13(12)22-17;1-9-3-4-10(5-13(9)22)19-15(23)8-24-16-20-11-6-14(17-2)18-7-12(11)21-16;16-12-5-9-10(6-17-12)20-14(19-9)23-7-13(22)21-15-18-8-3-1-2-4-11(8)24-15;/h4-6,8H,7,9H2,1-3H3,(H,21,23);3-5,7H,6,8H2,1-2H3,(H,21,23);3-6H,7H2,1-2H3,(H,20,22)(H,21,23,24);2*3-5,7,22H,6,8H2,1-2H3,(H,20,23);4-8H,9H2,1,3H3,(H,20,23)(H,21,22);3-7,22H,8H2,1H3,(H,19,23)(H,20,21);1-6H,7H2,(H,19,20)(H,18,21,22);1H4
InChIKeyAATMSKMIMSQHKA-UHFFFAOYSA-N
XLogP32.47
TPSA622.96 Ų
H-Bond Donors15
H-Bond Acceptors42
Rotatable Bonds31
Heavy Atoms198
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002968.05
LogP ≤ 532.47
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

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

Analyze N-(1,3-benzothiazol-2-yl)-2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(6-methoxy-5-methyl-1,3-benzothiazol-2-yl)acetamide;2-[(5-chloro-4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide;bis(2-[(5-chloro-4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methylphenyl)acetamide);2-[(5-chloro-4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(6-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(6-methoxy-5-methyl-1,3-benzothiazol-2-yl)acetamide;2-[(5-chloro-4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide;bis(2-[(5-chloro-4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methylphenyl)acetamide);2-[(5-chloro-4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(6-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide;methane?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(6-methoxy-5-methyl-1,3-benzothiazol-2-yl)acetamide;2-[(5-chloro-4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide;bis(2-[(5-chloro-4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methylphenyl)acetamide);2-[(5-chloro-4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(6-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide;methane (CID 157056016) is N-(1,3-benzothiazol-2-yl)-2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(6-methoxy-5-methyl-1,3-benzothiazol-2-yl)acetamide;2-[(5-chloro-4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide;bis(2-[(5-chloro-4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methylphenyl)acetamide);2-[(5-chloro-4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(6-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide;methane.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(6-methoxy-5-methyl-1,3-benzothiazol-2-yl)acetamide;2-[(5-chloro-4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide;bis(2-[(5-chloro-4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methylphenyl)acetamide);2-[(5-chloro-4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(6-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide;methane?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(6-methoxy-5-methyl-1,3-benzothiazol-2-yl)acetamide;2-[(5-chloro-4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide;bis(2-[(5-chloro-4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methylphenyl)acetamide);2-[(5-chloro-4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(6-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide;methane is C.COc1cc(NC(=O)CSC2=Nc3cnc(Cl)c(C)c3C2)ccc1C.COc1cc2sc(NC(=O)CSc3nc4cc(Cl)ncc4[nH]3)nc2cc1C.Cc1ccc(NC(=O)CSC2=Nc3cnc(Cl)c(C)c3C2)cc1F.Cc1ccc(NC(=O)CSC2=Nc3cnc(Cl)c(C)c3C2)cc1O.Cc1ccc(NC(=O)CSC2=Nc3cnc(Cl)c(C)c3C2)cc1O.O=C(CSc1nc2cc(Cl)ncc2[nH]1)Nc1nc2ccccc2s1.[C-]#[N+]c1cc2nc(SCC(=O)Nc3ccc(C)c(O)c3)[nH]c2cn1.[C-]#[N+]c1cc2nc(SCC(=O)Nc3ccc(C)c(OC)c3)[nH]c2cn1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(6-methoxy-5-methyl-1,3-benzothiazol-2-yl)acetamide;2-[(5-chloro-4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide;bis(2-[(5-chloro-4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methylphenyl)acetamide);2-[(5-chloro-4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(6-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide;methane?
The InChIKey is AATMSKMIMSQHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2S.C17H15ClFN3OS.C17H14ClN5O2S2.2C17H16ClN3O2S.C17H15N5O2S.C16H13N5O2S.C15H10ClN5OS2.CH4/c1-10-4-5-12(6-15(10)24-3)21-16(23)9-25-17-7-13-11(2)18(19)20-8-14(13)22-17;1-9-3-4-11(5-13(9)19)21-15(23)8-24-16-6-12-10(2)17(18)20-7-14(12)22-16;1-8-3-10-13(5-12(8)25-2)27-17(21-10)23-15(24)7-26-16-20-9-4-14(18)19-6-11(9)22-16;2*1-9-3-4-11(5-14(9)22)20-15(23)8-24-16-6-12-10(2)17(18)19-7-13(12)21-16;1-10-4-5-11(6-14(10)24-3)20-16(23)9-25-17-21-12-7-15(18-2)19-8-13(12)22-17;1-9-3-4-10(5-13(9)22)19-15(23)8-24-16-20-11-6-14(17-2)18-7-12(11)21-16;16-12-5-9-10(6-17-12)20-14(19-9)23-7-13(22)21-15-18-8-3-1-2-4-11(8)24-15;/h4-6,8H,7,9H2,1-3H3,(H,21,23);3-5,7H,6,8H2,1-2H3,(H,21,23);3-6H,7H2,1-2H3,(H,20,22)(H,21,23,24);2*3-5,7,22H,6,8H2,1-2H3,(H,20,23);4-8H,9H2,1,3H3,(H,20,23)(H,21,22);3-7,22H,8H2,1H3,(H,19,23)(H,20,21);1-6H,7H2,(H,19,20)(H,18,21,22);1H4.
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(6-methoxy-5-methyl-1,3-benzothiazol-2-yl)acetamide;2-[(5-chloro-4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide;bis(2-[(5-chloro-4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methylphenyl)acetamide);2-[(5-chloro-4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(6-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide;methane?
N-(1,3-benzothiazol-2-yl)-2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(6-methoxy-5-methyl-1,3-benzothiazol-2-yl)acetamide;2-[(5-chloro-4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide;bis(2-[(5-chloro-4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methylphenyl)acetamide);2-[(5-chloro-4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(6-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide;methane has a molecular weight of 2968.05 g/mol, XLogP of 32.47, 31 rotatable bonds, 15 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(6-methoxy-5-methyl-1,3-benzothiazol-2-yl)acetamide;2-[(5-chloro-4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide;bis(2-[(5-chloro-4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methylphenyl)acetamide);2-[(5-chloro-4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(6-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide;methane is sourced from PubChem (CID 157056016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).