4-[8-chloro-7-(isocyanomethylamino)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;7-(2-isocyanoethylamino)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;4-[7-(isocyanomethylamino)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;2-methylpropane;N-[2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-4-propan-2-yloxyquinolin-7-yl]methanesulfonamide;N-propan-2-yl-4-[4-propan-2-yloxy-7-(2,2,2-trifluoroethylamino)quinolin-2-yl]-1,3-thiazol-2-amine

C101H121ClF3N23O7S6 — CID 162040833

About 4-[8-chloro-7-(isocyanomethylamino)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;7-(2-isocyanoethylamino)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;4-[7-(isocyanomethylamino)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;2-methylpropane;N-[2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-4-propan-2-yloxyquinolin-7-yl]methanesulfonamide;N-propan-2-yl-4-[4-propan-2-yloxy-7-(2,2,2-trifluoroethylamino)quinolin-2-yl]-1,3-thiazol-2-amine

4-[8-chloro-7-(isocyanomethylamino)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;7-(2-isocyanoethylamino)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;4-[7-(isocyanomethylamino)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;2-methylpropane;N-[2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-4-propan-2-yloxyquinolin-7-yl]methanesulfonamide;N-propan-2-yl-4-[4-propan-2-yloxy-7-(2,2,2-trifluoroethylamino)quinolin-2-yl]-1,3-thiazol-2-amine (PubChem CID 162040833) has the molecular formula C101H121ClF3N23O7S6 and a molecular weight of 2054.08 g/mol. Its IUPAC name is 4-[8-chloro-7-(isocyanomethylamino)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;7-(2-isocyanoethylamino)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;4-[7-(isocyanomethylamino)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;2-methylpropane;N-[2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-4-propan-2-yloxyquinolin-7-yl]methanesulfonamide;N-propan-2-yl-4-[4-propan-2-yloxy-7-(2,2,2-trifluoroethylamino)quinolin-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 4-[8-chloro-7-(isocyanomethylamino)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;7-(2-isocyanoethylamino)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;4-[7-(isocyanomethylamino)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;2-methylpropane;N-[2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-4-propan-2-yloxyquinolin-7-yl]methanesulfonamide;N-propan-2-yl-4-[4-propan-2-yloxy-7-(2,2,2-trifluoroethylamino)quinolin-2-yl]-1,3-thiazol-2-amine
• PubChem CID: 162040833
• Molecular Formula: C101H121ClF3N23O7S6
• Molecular Weight: 2054.08 g/mol
• Exact Mass: 2051.78
• IUPAC Name: 4-[8-chloro-7-(isocyanomethylamino)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;7-(2-isocyanoethylamino)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;4-[7-(isocyanomethylamino)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;2-methylpropane;N-[2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-4-propan-2-yloxyquinolin-7-yl]methanesulfonamide;N-propan-2-yl-4-[4-propan-2-yloxy-7-(2,2,2-trifluoroethylamino)quinolin-2-yl]-1,3-thiazol-2-amine
• SMILES: CC(C)C.CC(C)Nc1nc(-c2cc(OC(C)C)c3ccc(NCC(F)(F)F)cc3n2)cs1.CC(C)Nc1nc(-c2cc(OC(C)C)c3ccc(NS(C)(=O)=O)cc3n2)cs1.[C-]#[N+]CCNc1ccc2c(=O)cc(-c3csc(NC(C)C)n3)[nH]c2c1.[C-]#[N+]CNc1ccc2c(OC(C)C)cc(-c3csc(NC(C)C)n3)nc2c1.[C-]#[N+]CNc1ccc2c(OC(C)C)cc(-c3csc(NC(C)C)n3)nc2c1Cl
• InChI: InChI=1S/C20H22ClN5OS.C20H23F3N4OS.C20H23N5OS.C19H24N4O3S2.C18H19N5OS.C4H10/c1-11(2)24-20-26-16(9-28-20)15-8-17(27-12(3)4)13-6-7-14(23-10-22-5)18(21)19(13)25-15;1-11(2)25-19-27-17(9-29-19)16-8-18(28-12(3)4)14-6-5-13(7-15(14)26-16)24-10-20(21,22)23;1-12(2)23-20-25-18(10-27-20)17-9-19(26-13(3)4)15-7-6-14(22-11-21-5)8-16(15)24-17;1-11(2)20-19-22-17(10-27-19)16-9-18(26-12(3)4)14-7-6-13(8-15(14)21-16)23-28(5,24)25;1-11(2)21-18-23-16(10-25-18)15-9-17(24)13-5-4-12(8-14(13)22-15)20-7-6-19-3;1-4(2)3/h6-9,11-12,23H,10H2,1-4H3,(H,24,26);5-9,11-12,24H,10H2,1-4H3,(H,25,27);6-10,12-13,22H,11H2,1-4H3,(H,23,25);6-12,23H,1-5H3,(H,20,22);4-5,8-11,20H,6-7H2,1-2H3,(H,21,23)(H,22,24);4H,1-3H3
• InChIKey: YXGHTZPUQZXTTC-UHFFFAOYSA-N
• XLogP: 26.91
• TPSA: 353.31 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 30
• Rotatable Bonds: 34
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2054.08
LogP ≤ 5	26.91
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[8-chloro-7-(isocyanomethylamino)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;7-(2-isocyanoethylamino)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;4-[7-(isocyanomethylamino)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;2-methylpropane;N-[2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-4-propan-2-yloxyquinolin-7-yl]methanesulfonamide;N-propan-2-yl-4-[4-propan-2-yloxy-7-(2,2,2-trifluoroethylamino)quinolin-2-yl]-1,3-thiazol-2-amine?

The IUPAC name of 4-[8-chloro-7-(isocyanomethylamino)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;7-(2-isocyanoethylamino)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;4-[7-(isocyanomethylamino)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;2-methylpropane;N-[2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-4-propan-2-yloxyquinolin-7-yl]methanesulfonamide;N-propan-2-yl-4-[4-propan-2-yloxy-7-(2,2,2-trifluoroethylamino)quinolin-2-yl]-1,3-thiazol-2-amine (CID 162040833) is 4-[8-chloro-7-(isocyanomethylamino)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;7-(2-isocyanoethylamino)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;4-[7-(isocyanomethylamino)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;2-methylpropane;N-[2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-4-propan-2-yloxyquinolin-7-yl]methanesulfonamide;N-propan-2-yl-4-[4-propan-2-yloxy-7-(2,2,2-trifluoroethylamino)quinolin-2-yl]-1,3-thiazol-2-amine.

What is the SMILES notation for 4-[8-chloro-7-(isocyanomethylamino)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;7-(2-isocyanoethylamino)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;4-[7-(isocyanomethylamino)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;2-methylpropane;N-[2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-4-propan-2-yloxyquinolin-7-yl]methanesulfonamide;N-propan-2-yl-4-[4-propan-2-yloxy-7-(2,2,2-trifluoroethylamino)quinolin-2-yl]-1,3-thiazol-2-amine?

The canonical SMILES for 4-[8-chloro-7-(isocyanomethylamino)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;7-(2-isocyanoethylamino)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;4-[7-(isocyanomethylamino)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;2-methylpropane;N-[2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-4-propan-2-yloxyquinolin-7-yl]methanesulfonamide;N-propan-2-yl-4-[4-propan-2-yloxy-7-(2,2,2-trifluoroethylamino)quinolin-2-yl]-1,3-thiazol-2-amine is CC(C)C.CC(C)Nc1nc(-c2cc(OC(C)C)c3ccc(NCC(F)(F)F)cc3n2)cs1.CC(C)Nc1nc(-c2cc(OC(C)C)c3ccc(NS(C)(=O)=O)cc3n2)cs1.[C-]#[N+]CCNc1ccc2c(=O)cc(-c3csc(NC(C)C)n3)[nH]c2c1.[C-]#[N+]CNc1ccc2c(OC(C)C)cc(-c3csc(NC(C)C)n3)nc2c1.[C-]#[N+]CNc1ccc2c(OC(C)C)cc(-c3csc(NC(C)C)n3)nc2c1Cl.

What is the InChIKey of 4-[8-chloro-7-(isocyanomethylamino)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;7-(2-isocyanoethylamino)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;4-[7-(isocyanomethylamino)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;2-methylpropane;N-[2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-4-propan-2-yloxyquinolin-7-yl]methanesulfonamide;N-propan-2-yl-4-[4-propan-2-yloxy-7-(2,2,2-trifluoroethylamino)quinolin-2-yl]-1,3-thiazol-2-amine?

The InChIKey is YXGHTZPUQZXTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5OS.C20H23F3N4OS.C20H23N5OS.C19H24N4O3S2.C18H19N5OS.C4H10/c1-11(2)24-20-26-16(9-28-20)15-8-17(27-12(3)4)13-6-7-14(23-10-22-5)18(21)19(13)25-15;1-11(2)25-19-27-17(9-29-19)16-8-18(28-12(3)4)14-6-5-13(7-15(14)26-16)24-10-20(21,22)23;1-12(2)23-20-25-18(10-27-20)17-9-19(26-13(3)4)15-7-6-14(22-11-21-5)8-16(15)24-17;1-11(2)20-19-22-17(10-27-19)16-9-18(26-12(3)4)14-7-6-13(8-15(14)21-16)23-28(5,24)25;1-11(2)21-18-23-16(10-25-18)15-9-17(24)13-5-4-12(8-14(13)22-15)20-7-6-19-3;1-4(2)3/h6-9,11-12,23H,10H2,1-4H3,(H,24,26);5-9,11-12,24H,10H2,1-4H3,(H,25,27);6-10,12-13,22H,11H2,1-4H3,(H,23,25);6-12,23H,1-5H3,(H,20,22);4-5,8-11,20H,6-7H2,1-2H3,(H,21,23)(H,22,24);4H,1-3H3.

What are the key properties of 4-[8-chloro-7-(isocyanomethylamino)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;7-(2-isocyanoethylamino)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;4-[7-(isocyanomethylamino)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;2-methylpropane;N-[2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-4-propan-2-yloxyquinolin-7-yl]methanesulfonamide;N-propan-2-yl-4-[4-propan-2-yloxy-7-(2,2,2-trifluoroethylamino)quinolin-2-yl]-1,3-thiazol-2-amine?

4-[8-chloro-7-(isocyanomethylamino)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;7-(2-isocyanoethylamino)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;4-[7-(isocyanomethylamino)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;2-methylpropane;N-[2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-4-propan-2-yloxyquinolin-7-yl]methanesulfonamide;N-propan-2-yl-4-[4-propan-2-yloxy-7-(2,2,2-trifluoroethylamino)quinolin-2-yl]-1,3-thiazol-2-amine has a molecular weight of 2054.08 g/mol, XLogP of 26.91, 34 rotatable bonds, 11 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-chloro-7-(isocyanomethylamino)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;7-(2-isocyanoethylamino)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;4-[7-(isocyanomethylamino)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;2-methylpropane;N-[2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-4-propan-2-yloxyquinolin-7-yl]methanesulfonamide;N-propan-2-yl-4-[4-propan-2-yloxy-7-(2,2,2-trifluoroethylamino)quinolin-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 162040833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).