2-amino-N-propan-2-ylbenzamide;tert-butyl 2-amino-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 3-methyl-4-oxopiperidine-1-carboxylate;5-(2-chloro-6-methylpyrimidin-4-yl)-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;2-[[5-(2-chloro-6-methylpyrimidin-4-yl)-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-propan-2-ylbenzamide;N-[5-(2-chloro-6-methylpyrimidin-4-yl)-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]imidazole-1-carboxamide;7-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine

C91H119Cl3N28O9S5 — CID 158772602

About 2-amino-N-propan-2-ylbenzamide;tert-butyl 2-amino-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 3-methyl-4-oxopiperidine-1-carboxylate;5-(2-chloro-6-methylpyrimidin-4-yl)-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;2-[[5-(2-chloro-6-methylpyrimidin-4-yl)-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-propan-2-ylbenzamide;N-[5-(2-chloro-6-methylpyrimidin-4-yl)-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]imidazole-1-carboxamide;7-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine

2-amino-N-propan-2-ylbenzamide;tert-butyl 2-amino-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 3-methyl-4-oxopiperidine-1-carboxylate;5-(2-chloro-6-methylpyrimidin-4-yl)-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;2-[[5-(2-chloro-6-methylpyrimidin-4-yl)-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-propan-2-ylbenzamide;N-[5-(2-chloro-6-methylpyrimidin-4-yl)-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]imidazole-1-carboxamide;7-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine (PubChem CID 158772602) has the molecular formula C91H119Cl3N28O9S5 and a molecular weight of 2015.83 g/mol. Its IUPAC name is 2-amino-N-propan-2-ylbenzamide;tert-butyl 2-amino-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 3-methyl-4-oxopiperidine-1-carboxylate;5-(2-chloro-6-methylpyrimidin-4-yl)-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;2-[[5-(2-chloro-6-methylpyrimidin-4-yl)-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-propan-2-ylbenzamide;N-[5-(2-chloro-6-methylpyrimidin-4-yl)-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]imidazole-1-carboxamide;7-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine.

Molecular Properties

• Compound Name: 2-amino-N-propan-2-ylbenzamide;tert-butyl 2-amino-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 3-methyl-4-oxopiperidine-1-carboxylate;5-(2-chloro-6-methylpyrimidin-4-yl)-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;2-[[5-(2-chloro-6-methylpyrimidin-4-yl)-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-propan-2-ylbenzamide;N-[5-(2-chloro-6-methylpyrimidin-4-yl)-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]imidazole-1-carboxamide;7-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine
• PubChem CID: 158772602
• Molecular Formula: C91H119Cl3N28O9S5
• Molecular Weight: 2015.83 g/mol
• Exact Mass: 2012.74
• IUPAC Name: 2-amino-N-propan-2-ylbenzamide;tert-butyl 2-amino-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 3-methyl-4-oxopiperidine-1-carboxylate;5-(2-chloro-6-methylpyrimidin-4-yl)-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;2-[[5-(2-chloro-6-methylpyrimidin-4-yl)-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-propan-2-ylbenzamide;N-[5-(2-chloro-6-methylpyrimidin-4-yl)-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]imidazole-1-carboxamide;7-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine
• SMILES: CC(C)NC(=O)c1ccccc1N.CC1CN(C(=O)OC(C)(C)C)CCC1=O.CC1CN(C(=O)OC(C)(C)C)Cc2sc(N)nc21.CC1CNCc2sc(N)nc21.Cc1cc(N2Cc3sc(N)nc3C(C)C2)nc(Cl)n1.Cc1cc(N2Cc3sc(NC(=O)Nc4ccccc4C(=O)NC(C)C)nc3C(C)C2)nc(Cl)n1.Cc1cc(N2Cc3sc(NC(=O)n4ccnc4)nc3C(C)C2)nc(Cl)n1
• InChI: InChI=1S/C23H26ClN7O2S.C16H16ClN7OS.C12H14ClN5S.C12H19N3O2S.C11H19NO3.C10H14N2O.C7H11N3S/c1-12(2)25-20(32)15-7-5-6-8-16(15)27-22(33)30-23-29-19-13(3)10-31(11-17(19)34-23)18-9-14(4)26-21(24)28-18;1-9-6-24(12-5-10(2)19-14(17)20-12)7-11-13(9)21-15(26-11)22-16(25)23-4-3-18-8-23;1-6-4-18(5-8-10(6)17-12(14)19-8)9-3-7(2)15-11(13)16-9;1-7-5-15(11(16)17-12(2,3)4)6-8-9(7)14-10(13)18-8;1-8-7-12(6-5-9(8)13)10(14)15-11(2,3)4;1-7(2)12-10(13)8-5-3-4-6-9(8)11;1-4-2-9-3-5-6(4)10-7(8)11-5/h5-9,12-13H,10-11H2,1-4H3,(H,25,32)(H2,27,29,30,33);3-5,8-9H,6-7H2,1-2H3,(H,21,22,25);3,6H,4-5H2,1-2H3,(H2,14,17);7H,5-6H2,1-4H3,(H2,13,14);8H,5-7H2,1-4H3;3-7H,11H2,1-2H3,(H,12,13);4,9H,2-3H2,1H3,(H2,8,10)
• InChIKey: IQBHPUPTZBPHFC-UHFFFAOYSA-N
• XLogP: 17.45
• TPSA: 490.02 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 35
• Rotatable Bonds: 10
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2015.83
LogP ≤ 5	17.45
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-propan-2-ylbenzamide;tert-butyl 2-amino-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 3-methyl-4-oxopiperidine-1-carboxylate;5-(2-chloro-6-methylpyrimidin-4-yl)-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;2-[[5-(2-chloro-6-methylpyrimidin-4-yl)-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-propan-2-ylbenzamide;N-[5-(2-chloro-6-methylpyrimidin-4-yl)-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]imidazole-1-carboxamide;7-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine?

The IUPAC name of 2-amino-N-propan-2-ylbenzamide;tert-butyl 2-amino-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 3-methyl-4-oxopiperidine-1-carboxylate;5-(2-chloro-6-methylpyrimidin-4-yl)-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;2-[[5-(2-chloro-6-methylpyrimidin-4-yl)-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-propan-2-ylbenzamide;N-[5-(2-chloro-6-methylpyrimidin-4-yl)-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]imidazole-1-carboxamide;7-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine (CID 158772602) is 2-amino-N-propan-2-ylbenzamide;tert-butyl 2-amino-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 3-methyl-4-oxopiperidine-1-carboxylate;5-(2-chloro-6-methylpyrimidin-4-yl)-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;2-[[5-(2-chloro-6-methylpyrimidin-4-yl)-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-propan-2-ylbenzamide;N-[5-(2-chloro-6-methylpyrimidin-4-yl)-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]imidazole-1-carboxamide;7-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine.

What is the SMILES notation for 2-amino-N-propan-2-ylbenzamide;tert-butyl 2-amino-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 3-methyl-4-oxopiperidine-1-carboxylate;5-(2-chloro-6-methylpyrimidin-4-yl)-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;2-[[5-(2-chloro-6-methylpyrimidin-4-yl)-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-propan-2-ylbenzamide;N-[5-(2-chloro-6-methylpyrimidin-4-yl)-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]imidazole-1-carboxamide;7-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine?

The canonical SMILES for 2-amino-N-propan-2-ylbenzamide;tert-butyl 2-amino-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 3-methyl-4-oxopiperidine-1-carboxylate;5-(2-chloro-6-methylpyrimidin-4-yl)-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;2-[[5-(2-chloro-6-methylpyrimidin-4-yl)-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-propan-2-ylbenzamide;N-[5-(2-chloro-6-methylpyrimidin-4-yl)-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]imidazole-1-carboxamide;7-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine is CC(C)NC(=O)c1ccccc1N.CC1CN(C(=O)OC(C)(C)C)CCC1=O.CC1CN(C(=O)OC(C)(C)C)Cc2sc(N)nc21.CC1CNCc2sc(N)nc21.Cc1cc(N2Cc3sc(N)nc3C(C)C2)nc(Cl)n1.Cc1cc(N2Cc3sc(NC(=O)Nc4ccccc4C(=O)NC(C)C)nc3C(C)C2)nc(Cl)n1.Cc1cc(N2Cc3sc(NC(=O)n4ccnc4)nc3C(C)C2)nc(Cl)n1.

What is the InChIKey of 2-amino-N-propan-2-ylbenzamide;tert-butyl 2-amino-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 3-methyl-4-oxopiperidine-1-carboxylate;5-(2-chloro-6-methylpyrimidin-4-yl)-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;2-[[5-(2-chloro-6-methylpyrimidin-4-yl)-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-propan-2-ylbenzamide;N-[5-(2-chloro-6-methylpyrimidin-4-yl)-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]imidazole-1-carboxamide;7-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine?

The InChIKey is IQBHPUPTZBPHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN7O2S.C16H16ClN7OS.C12H14ClN5S.C12H19N3O2S.C11H19NO3.C10H14N2O.C7H11N3S/c1-12(2)25-20(32)15-7-5-6-8-16(15)27-22(33)30-23-29-19-13(3)10-31(11-17(19)34-23)18-9-14(4)26-21(24)28-18;1-9-6-24(12-5-10(2)19-14(17)20-12)7-11-13(9)21-15(26-11)22-16(25)23-4-3-18-8-23;1-6-4-18(5-8-10(6)17-12(14)19-8)9-3-7(2)15-11(13)16-9;1-7-5-15(11(16)17-12(2,3)4)6-8-9(7)14-10(13)18-8;1-8-7-12(6-5-9(8)13)10(14)15-11(2,3)4;1-7(2)12-10(13)8-5-3-4-6-9(8)11;1-4-2-9-3-5-6(4)10-7(8)11-5/h5-9,12-13H,10-11H2,1-4H3,(H,25,32)(H2,27,29,30,33);3-5,8-9H,6-7H2,1-2H3,(H,21,22,25);3,6H,4-5H2,1-2H3,(H2,14,17);7H,5-6H2,1-4H3,(H2,13,14);8H,5-7H2,1-4H3;3-7H,11H2,1-2H3,(H,12,13);4,9H,2-3H2,1H3,(H2,8,10).

What are the key properties of 2-amino-N-propan-2-ylbenzamide;tert-butyl 2-amino-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 3-methyl-4-oxopiperidine-1-carboxylate;5-(2-chloro-6-methylpyrimidin-4-yl)-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;2-[[5-(2-chloro-6-methylpyrimidin-4-yl)-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-propan-2-ylbenzamide;N-[5-(2-chloro-6-methylpyrimidin-4-yl)-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]imidazole-1-carboxamide;7-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine?

2-amino-N-propan-2-ylbenzamide;tert-butyl 2-amino-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 3-methyl-4-oxopiperidine-1-carboxylate;5-(2-chloro-6-methylpyrimidin-4-yl)-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;2-[[5-(2-chloro-6-methylpyrimidin-4-yl)-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-propan-2-ylbenzamide;N-[5-(2-chloro-6-methylpyrimidin-4-yl)-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]imidazole-1-carboxamide;7-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine has a molecular weight of 2015.83 g/mol, XLogP of 17.45, 10 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-propan-2-ylbenzamide;tert-butyl 2-amino-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 3-methyl-4-oxopiperidine-1-carboxylate;5-(2-chloro-6-methylpyrimidin-4-yl)-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;2-[[5-(2-chloro-6-methylpyrimidin-4-yl)-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-propan-2-ylbenzamide;N-[5-(2-chloro-6-methylpyrimidin-4-yl)-7-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]imidazole-1-carboxamide;7-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine is sourced from PubChem (CID 158772602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).