5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-N-[(2-methoxy-4-methylphenyl)methyl]-1,3-thiazol-2-amine;5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine;(2,6-dichlorophenyl)methanamine;diethyl 2,2-difluoropropanedioate;1,1-difluoro-4-hydroxy-4-[2-[(2-methoxy-4-methylphenyl)methylamino]-1,3-thiazol-5-yl]but-3-en-2-one;1-[2-[(2-methoxy-4-methylphenyl)methylamino]-1,3-thiazol-5-yl]ethanone;hydrochloride

C79H76Cl7F8N13O10S4 — CID 161299308

About 5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-N-[(2-methoxy-4-methylphenyl)methyl]-1,3-thiazol-2-amine;5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine;(2,6-dichlorophenyl)methanamine;diethyl 2,2-difluoropropanedioate;1,1-difluoro-4-hydroxy-4-[2-[(2-methoxy-4-methylphenyl)methylamino]-1,3-thiazol-5-yl]but-3-en-2-one;1-[2-[(2-methoxy-4-methylphenyl)methylamino]-1,3-thiazol-5-yl]ethanone;hydrochloride

5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-N-[(2-methoxy-4-methylphenyl)methyl]-1,3-thiazol-2-amine;5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine;(2,6-dichlorophenyl)methanamine;diethyl 2,2-difluoropropanedioate;1,1-difluoro-4-hydroxy-4-[2-[(2-methoxy-4-methylphenyl)methylamino]-1,3-thiazol-5-yl]but-3-en-2-one;1-[2-[(2-methoxy-4-methylphenyl)methylamino]-1,3-thiazol-5-yl]ethanone;hydrochloride (PubChem CID 161299308) has the molecular formula C79H76Cl7F8N13O10S4 and a molecular weight of 1895.98 g/mol. Its IUPAC name is 5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-N-[(2-methoxy-4-methylphenyl)methyl]-1,3-thiazol-2-amine;5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine;(2,6-dichlorophenyl)methanamine;diethyl 2,2-difluoropropanedioate;1,1-difluoro-4-hydroxy-4-[2-[(2-methoxy-4-methylphenyl)methylamino]-1,3-thiazol-5-yl]but-3-en-2-one;1-[2-[(2-methoxy-4-methylphenyl)methylamino]-1,3-thiazol-5-yl]ethanone;hydrochloride.

Molecular Properties

• Compound Name: 5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-N-[(2-methoxy-4-methylphenyl)methyl]-1,3-thiazol-2-amine;5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine;(2,6-dichlorophenyl)methanamine;diethyl 2,2-difluoropropanedioate;1,1-difluoro-4-hydroxy-4-[2-[(2-methoxy-4-methylphenyl)methylamino]-1,3-thiazol-5-yl]but-3-en-2-one;1-[2-[(2-methoxy-4-methylphenyl)methylamino]-1,3-thiazol-5-yl]ethanone;hydrochloride
• PubChem CID: 161299308
• Molecular Formula: C79H76Cl7F8N13O10S4
• Molecular Weight: 1895.98 g/mol
• Exact Mass: 1891.24
• IUPAC Name: 5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-N-[(2-methoxy-4-methylphenyl)methyl]-1,3-thiazol-2-amine;5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine;(2,6-dichlorophenyl)methanamine;diethyl 2,2-difluoropropanedioate;1,1-difluoro-4-hydroxy-4-[2-[(2-methoxy-4-methylphenyl)methylamino]-1,3-thiazol-5-yl]but-3-en-2-one;1-[2-[(2-methoxy-4-methylphenyl)methylamino]-1,3-thiazol-5-yl]ethanone;hydrochloride
• SMILES: CCOC(=O)C(F)(F)C(=O)OCC.COc1cc(C)ccc1CNc1ncc(-c2cc(C(F)F)nn2-c2c(Cl)cccc2Cl)s1.COc1cc(C)ccc1CNc1ncc(C(C)=O)s1.COc1cc(C)ccc1CNc1ncc(C(O)=CC(=O)C(F)F)s1.Cl.NCc1c(Cl)cccc1Cl.Nc1ncc(-c2cc(C(F)F)nn2-c2c(Cl)cccc2Cl)s1
• InChI: InChI=1S/C22H18Cl2F2N4OS.C16H16F2N2O3S.C14H16N2O2S.C13H8Cl2F2N4S.C7H7Cl2N.C7H10F2O4.ClH/c1-12-6-7-13(18(8-12)31-2)10-27-22-28-11-19(32-22)17-9-16(21(25)26)29-30(17)20-14(23)4-3-5-15(20)24;1-9-3-4-10(13(5-9)23-2)7-19-16-20-8-14(24-16)11(21)6-12(22)15(17)18;1-9-4-5-11(12(6-9)18-3)7-15-14-16-8-13(19-14)10(2)17;14-6-2-1-3-7(15)11(6)21-9(4-8(20-21)12(16)17)10-5-19-13(18)22-10;8-6-2-1-3-7(9)5(6)4-10;1-3-12-5(10)7(8,9)6(11)13-4-2;/h3-9,11,21H,10H2,1-2H3,(H,27,28);3-6,8,15,21H,7H2,1-2H3,(H,19,20);4-6,8H,7H2,1-3H3,(H,15,16);1-5,12H,(H2,18,19);1-3H,4,10H2;3-4H2,1-2H3;1H
• InChIKey: HHKYWFXXUKUCDO-UHFFFAOYSA-N
• XLogP: 22.69
• TPSA: 309.99 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 27
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1895.98
LogP ≤ 5	22.69
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-N-[(2-methoxy-4-methylphenyl)methyl]-1,3-thiazol-2-amine;5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine;(2,6-dichlorophenyl)methanamine;diethyl 2,2-difluoropropanedioate;1,1-difluoro-4-hydroxy-4-[2-[(2-methoxy-4-methylphenyl)methylamino]-1,3-thiazol-5-yl]but-3-en-2-one;1-[2-[(2-methoxy-4-methylphenyl)methylamino]-1,3-thiazol-5-yl]ethanone;hydrochloride?

The IUPAC name of 5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-N-[(2-methoxy-4-methylphenyl)methyl]-1,3-thiazol-2-amine;5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine;(2,6-dichlorophenyl)methanamine;diethyl 2,2-difluoropropanedioate;1,1-difluoro-4-hydroxy-4-[2-[(2-methoxy-4-methylphenyl)methylamino]-1,3-thiazol-5-yl]but-3-en-2-one;1-[2-[(2-methoxy-4-methylphenyl)methylamino]-1,3-thiazol-5-yl]ethanone;hydrochloride (CID 161299308) is 5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-N-[(2-methoxy-4-methylphenyl)methyl]-1,3-thiazol-2-amine;5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine;(2,6-dichlorophenyl)methanamine;diethyl 2,2-difluoropropanedioate;1,1-difluoro-4-hydroxy-4-[2-[(2-methoxy-4-methylphenyl)methylamino]-1,3-thiazol-5-yl]but-3-en-2-one;1-[2-[(2-methoxy-4-methylphenyl)methylamino]-1,3-thiazol-5-yl]ethanone;hydrochloride.

What is the SMILES notation for 5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-N-[(2-methoxy-4-methylphenyl)methyl]-1,3-thiazol-2-amine;5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine;(2,6-dichlorophenyl)methanamine;diethyl 2,2-difluoropropanedioate;1,1-difluoro-4-hydroxy-4-[2-[(2-methoxy-4-methylphenyl)methylamino]-1,3-thiazol-5-yl]but-3-en-2-one;1-[2-[(2-methoxy-4-methylphenyl)methylamino]-1,3-thiazol-5-yl]ethanone;hydrochloride?

The canonical SMILES for 5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-N-[(2-methoxy-4-methylphenyl)methyl]-1,3-thiazol-2-amine;5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine;(2,6-dichlorophenyl)methanamine;diethyl 2,2-difluoropropanedioate;1,1-difluoro-4-hydroxy-4-[2-[(2-methoxy-4-methylphenyl)methylamino]-1,3-thiazol-5-yl]but-3-en-2-one;1-[2-[(2-methoxy-4-methylphenyl)methylamino]-1,3-thiazol-5-yl]ethanone;hydrochloride is CCOC(=O)C(F)(F)C(=O)OCC.COc1cc(C)ccc1CNc1ncc(-c2cc(C(F)F)nn2-c2c(Cl)cccc2Cl)s1.COc1cc(C)ccc1CNc1ncc(C(C)=O)s1.COc1cc(C)ccc1CNc1ncc(C(O)=CC(=O)C(F)F)s1.Cl.NCc1c(Cl)cccc1Cl.Nc1ncc(-c2cc(C(F)F)nn2-c2c(Cl)cccc2Cl)s1.

What is the InChIKey of 5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-N-[(2-methoxy-4-methylphenyl)methyl]-1,3-thiazol-2-amine;5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine;(2,6-dichlorophenyl)methanamine;diethyl 2,2-difluoropropanedioate;1,1-difluoro-4-hydroxy-4-[2-[(2-methoxy-4-methylphenyl)methylamino]-1,3-thiazol-5-yl]but-3-en-2-one;1-[2-[(2-methoxy-4-methylphenyl)methylamino]-1,3-thiazol-5-yl]ethanone;hydrochloride?

The InChIKey is HHKYWFXXUKUCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2F2N4OS.C16H16F2N2O3S.C14H16N2O2S.C13H8Cl2F2N4S.C7H7Cl2N.C7H10F2O4.ClH/c1-12-6-7-13(18(8-12)31-2)10-27-22-28-11-19(32-22)17-9-16(21(25)26)29-30(17)20-14(23)4-3-5-15(20)24;1-9-3-4-10(13(5-9)23-2)7-19-16-20-8-14(24-16)11(21)6-12(22)15(17)18;1-9-4-5-11(12(6-9)18-3)7-15-14-16-8-13(19-14)10(2)17;14-6-2-1-3-7(15)11(6)21-9(4-8(20-21)12(16)17)10-5-19-13(18)22-10;8-6-2-1-3-7(9)5(6)4-10;1-3-12-5(10)7(8,9)6(11)13-4-2;/h3-9,11,21H,10H2,1-2H3,(H,27,28);3-6,8,15,21H,7H2,1-2H3,(H,19,20);4-6,8H,7H2,1-3H3,(H,15,16);1-5,12H,(H2,18,19);1-3H,4,10H2;3-4H2,1-2H3;1H.

What are the key properties of 5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-N-[(2-methoxy-4-methylphenyl)methyl]-1,3-thiazol-2-amine;5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine;(2,6-dichlorophenyl)methanamine;diethyl 2,2-difluoropropanedioate;1,1-difluoro-4-hydroxy-4-[2-[(2-methoxy-4-methylphenyl)methylamino]-1,3-thiazol-5-yl]but-3-en-2-one;1-[2-[(2-methoxy-4-methylphenyl)methylamino]-1,3-thiazol-5-yl]ethanone;hydrochloride?

5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-N-[(2-methoxy-4-methylphenyl)methyl]-1,3-thiazol-2-amine;5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine;(2,6-dichlorophenyl)methanamine;diethyl 2,2-difluoropropanedioate;1,1-difluoro-4-hydroxy-4-[2-[(2-methoxy-4-methylphenyl)methylamino]-1,3-thiazol-5-yl]but-3-en-2-one;1-[2-[(2-methoxy-4-methylphenyl)methylamino]-1,3-thiazol-5-yl]ethanone;hydrochloride has a molecular weight of 1895.98 g/mol, XLogP of 22.69, 27 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-N-[(2-methoxy-4-methylphenyl)methyl]-1,3-thiazol-2-amine;5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine;(2,6-dichlorophenyl)methanamine;diethyl 2,2-difluoropropanedioate;1,1-difluoro-4-hydroxy-4-[2-[(2-methoxy-4-methylphenyl)methylamino]-1,3-thiazol-5-yl]but-3-en-2-one;1-[2-[(2-methoxy-4-methylphenyl)methylamino]-1,3-thiazol-5-yl]ethanone;hydrochloride is sourced from PubChem (CID 161299308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).