4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;N,4-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;5-(1-ethoxyethenyl)-N-methyl-1,2-oxazol-3-amine;ethyl 3-(dimethylamino)benzoate;ethyl 2-[2-(methylamino)-1,3-thiazol-4-yl]acetate;ethyl 1-methyl-3-(methylamino)pyrazole-5-carboxylate;ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate;methane;methyl 3-(methylamino)-3-pyridin-2-ylpropanoate;methyl 2-(methylamino)-1,3-thiazole-4-carboxylate;methyl 2-methyl-3,4-dihydro-1H-isoquinoline-7-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate

C99H151N23O20S5 — CID 158040747

About 4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;N,4-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;5-(1-ethoxyethenyl)-N-methyl-1,2-oxazol-3-amine;ethyl 3-(dimethylamino)benzoate;ethyl 2-[2-(methylamino)-1,3-thiazol-4-yl]acetate;ethyl 1-methyl-3-(methylamino)pyrazole-5-carboxylate;ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate;methane;methyl 3-(methylamino)-3-pyridin-2-ylpropanoate;methyl 2-(methylamino)-1,3-thiazole-4-carboxylate;methyl 2-methyl-3,4-dihydro-1H-isoquinoline-7-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate

4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;N,4-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;5-(1-ethoxyethenyl)-N-methyl-1,2-oxazol-3-amine;ethyl 3-(dimethylamino)benzoate;ethyl 2-[2-(methylamino)-1,3-thiazol-4-yl]acetate;ethyl 1-methyl-3-(methylamino)pyrazole-5-carboxylate;ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate;methane;methyl 3-(methylamino)-3-pyridin-2-ylpropanoate;methyl 2-(methylamino)-1,3-thiazole-4-carboxylate;methyl 2-methyl-3,4-dihydro-1H-isoquinoline-7-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate (PubChem CID 158040747) has the molecular formula C99H151N23O20S5 and a molecular weight of 2143.77 g/mol. Its IUPAC name is 4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;N,4-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;5-(1-ethoxyethenyl)-N-methyl-1,2-oxazol-3-amine;ethyl 3-(dimethylamino)benzoate;ethyl 2-[2-(methylamino)-1,3-thiazol-4-yl]acetate;ethyl 1-methyl-3-(methylamino)pyrazole-5-carboxylate;ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate;methane;methyl 3-(methylamino)-3-pyridin-2-ylpropanoate;methyl 2-(methylamino)-1,3-thiazole-4-carboxylate;methyl 2-methyl-3,4-dihydro-1H-isoquinoline-7-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate.

Molecular Properties

• Compound Name: 4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;N,4-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;5-(1-ethoxyethenyl)-N-methyl-1,2-oxazol-3-amine;ethyl 3-(dimethylamino)benzoate;ethyl 2-[2-(methylamino)-1,3-thiazol-4-yl]acetate;ethyl 1-methyl-3-(methylamino)pyrazole-5-carboxylate;ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate;methane;methyl 3-(methylamino)-3-pyridin-2-ylpropanoate;methyl 2-(methylamino)-1,3-thiazole-4-carboxylate;methyl 2-methyl-3,4-dihydro-1H-isoquinoline-7-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate
• PubChem CID: 158040747
• Molecular Formula: C99H151N23O20S5
• Molecular Weight: 2143.77 g/mol
• Exact Mass: 2142.01
• IUPAC Name: 4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;N,4-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;5-(1-ethoxyethenyl)-N-methyl-1,2-oxazol-3-amine;ethyl 3-(dimethylamino)benzoate;ethyl 2-[2-(methylamino)-1,3-thiazol-4-yl]acetate;ethyl 1-methyl-3-(methylamino)pyrazole-5-carboxylate;ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate;methane;methyl 3-(methylamino)-3-pyridin-2-ylpropanoate;methyl 2-(methylamino)-1,3-thiazole-4-carboxylate;methyl 2-methyl-3,4-dihydro-1H-isoquinoline-7-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate
• SMILES: C.C.C=C(OCC)c1cc(NC)no1.CCCCc1nc(NC)sc1C(=O)N(C)C.CCOC(=O)Cc1csc(NC)n1.CCOC(=O)c1cc(NC)nn1C.CCOC(=O)c1cccc(N(C)C)c1.CCOC(=O)c1sc(NC)nc1C.CNC(=O)c1sc(NC)nc1C.CNC(CC(=O)OC)c1ccccn1.CNc1cc(C(=O)OC)n(C)c1.CNc1nc(C(=O)OC)cs1.COC(=O)c1ccc2c(c1)CN(C)CC2
• InChI: InChI=1S/C12H15NO2.C11H19N3OS.C11H15NO2.C10H14N2O2.C8H13N3O2.2C8H12N2O2S.2C8H12N2O2.C7H11N3OS.C6H8N2O2S.2CH4/c1-13-6-5-9-3-4-10(12(14)15-2)7-11(9)8-13;1-5-6-7-8-9(10(15)14(3)4)16-11(12-2)13-8;1-4-14-11(13)9-6-5-7-10(8-9)12(2)3;1-11-9(7-10(13)14-2)8-5-3-4-6-12-8;1-4-13-8(12)6-5-7(9-2)10-11(6)3;1-4-12-7(11)6-5(2)10-8(9-3)13-6;1-3-12-7(11)4-6-5-13-8(9-2)10-6;1-9-6-4-7(8(11)12-3)10(2)5-6;1-4-11-6(2)7-5-8(9-3)10-12-7;1-4-5(6(11)8-2)12-7(9-3)10-4;1-7-6-8-4(3-11-6)5(9)10-2;;/h3-4,7H,5-6,8H2,1-2H3;5-7H2,1-4H3,(H,12,13);5-8H,4H2,1-3H3;3-6,9,11H,7H2,1-2H3;5H,4H2,1-3H3,(H,9,10);4H2,1-3H3,(H,9,10);5H,3-4H2,1-2H3,(H,9,10);4-5,9H,1-3H3;5H,2,4H2,1,3H3,(H,9,10);1-3H3,(H,8,11)(H,9,10);3H,1-2H3,(H,7,8);2*1H4
• InChIKey: FIIAPROBUDJTCG-UHFFFAOYSA-N
• XLogP: 15.80
• TPSA: 509.91 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 46
• Rotatable Bonds: 33
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2143.77
LogP ≤ 5	15.80
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;N,4-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;5-(1-ethoxyethenyl)-N-methyl-1,2-oxazol-3-amine;ethyl 3-(dimethylamino)benzoate;ethyl 2-[2-(methylamino)-1,3-thiazol-4-yl]acetate;ethyl 1-methyl-3-(methylamino)pyrazole-5-carboxylate;ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate;methane;methyl 3-(methylamino)-3-pyridin-2-ylpropanoate;methyl 2-(methylamino)-1,3-thiazole-4-carboxylate;methyl 2-methyl-3,4-dihydro-1H-isoquinoline-7-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate?

The IUPAC name of 4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;N,4-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;5-(1-ethoxyethenyl)-N-methyl-1,2-oxazol-3-amine;ethyl 3-(dimethylamino)benzoate;ethyl 2-[2-(methylamino)-1,3-thiazol-4-yl]acetate;ethyl 1-methyl-3-(methylamino)pyrazole-5-carboxylate;ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate;methane;methyl 3-(methylamino)-3-pyridin-2-ylpropanoate;methyl 2-(methylamino)-1,3-thiazole-4-carboxylate;methyl 2-methyl-3,4-dihydro-1H-isoquinoline-7-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate (CID 158040747) is 4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;N,4-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;5-(1-ethoxyethenyl)-N-methyl-1,2-oxazol-3-amine;ethyl 3-(dimethylamino)benzoate;ethyl 2-[2-(methylamino)-1,3-thiazol-4-yl]acetate;ethyl 1-methyl-3-(methylamino)pyrazole-5-carboxylate;ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate;methane;methyl 3-(methylamino)-3-pyridin-2-ylpropanoate;methyl 2-(methylamino)-1,3-thiazole-4-carboxylate;methyl 2-methyl-3,4-dihydro-1H-isoquinoline-7-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate.

What is the SMILES notation for 4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;N,4-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;5-(1-ethoxyethenyl)-N-methyl-1,2-oxazol-3-amine;ethyl 3-(dimethylamino)benzoate;ethyl 2-[2-(methylamino)-1,3-thiazol-4-yl]acetate;ethyl 1-methyl-3-(methylamino)pyrazole-5-carboxylate;ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate;methane;methyl 3-(methylamino)-3-pyridin-2-ylpropanoate;methyl 2-(methylamino)-1,3-thiazole-4-carboxylate;methyl 2-methyl-3,4-dihydro-1H-isoquinoline-7-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate?

The canonical SMILES for 4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;N,4-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;5-(1-ethoxyethenyl)-N-methyl-1,2-oxazol-3-amine;ethyl 3-(dimethylamino)benzoate;ethyl 2-[2-(methylamino)-1,3-thiazol-4-yl]acetate;ethyl 1-methyl-3-(methylamino)pyrazole-5-carboxylate;ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate;methane;methyl 3-(methylamino)-3-pyridin-2-ylpropanoate;methyl 2-(methylamino)-1,3-thiazole-4-carboxylate;methyl 2-methyl-3,4-dihydro-1H-isoquinoline-7-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate is C.C.C=C(OCC)c1cc(NC)no1.CCCCc1nc(NC)sc1C(=O)N(C)C.CCOC(=O)Cc1csc(NC)n1.CCOC(=O)c1cc(NC)nn1C.CCOC(=O)c1cccc(N(C)C)c1.CCOC(=O)c1sc(NC)nc1C.CNC(=O)c1sc(NC)nc1C.CNC(CC(=O)OC)c1ccccn1.CNc1cc(C(=O)OC)n(C)c1.CNc1nc(C(=O)OC)cs1.COC(=O)c1ccc2c(c1)CN(C)CC2.

What is the InChIKey of 4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;N,4-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;5-(1-ethoxyethenyl)-N-methyl-1,2-oxazol-3-amine;ethyl 3-(dimethylamino)benzoate;ethyl 2-[2-(methylamino)-1,3-thiazol-4-yl]acetate;ethyl 1-methyl-3-(methylamino)pyrazole-5-carboxylate;ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate;methane;methyl 3-(methylamino)-3-pyridin-2-ylpropanoate;methyl 2-(methylamino)-1,3-thiazole-4-carboxylate;methyl 2-methyl-3,4-dihydro-1H-isoquinoline-7-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate?

The InChIKey is FIIAPROBUDJTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2.C11H19N3OS.C11H15NO2.C10H14N2O2.C8H13N3O2.2C8H12N2O2S.2C8H12N2O2.C7H11N3OS.C6H8N2O2S.2CH4/c1-13-6-5-9-3-4-10(12(14)15-2)7-11(9)8-13;1-5-6-7-8-9(10(15)14(3)4)16-11(12-2)13-8;1-4-14-11(13)9-6-5-7-10(8-9)12(2)3;1-11-9(7-10(13)14-2)8-5-3-4-6-12-8;1-4-13-8(12)6-5-7(9-2)10-11(6)3;1-4-12-7(11)6-5(2)10-8(9-3)13-6;1-3-12-7(11)4-6-5-13-8(9-2)10-6;1-9-6-4-7(8(11)12-3)10(2)5-6;1-4-11-6(2)7-5-8(9-3)10-12-7;1-4-5(6(11)8-2)12-7(9-3)10-4;1-7-6-8-4(3-11-6)5(9)10-2;;/h3-4,7H,5-6,8H2,1-2H3;5-7H2,1-4H3,(H,12,13);5-8H,4H2,1-3H3;3-6,9,11H,7H2,1-2H3;5H,4H2,1-3H3,(H,9,10);4H2,1-3H3,(H,9,10);5H,3-4H2,1-2H3,(H,9,10);4-5,9H,1-3H3;5H,2,4H2,1,3H3,(H,9,10);1-3H3,(H,8,11)(H,9,10);3H,1-2H3,(H,7,8);2*1H4.

What are the key properties of 4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;N,4-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;5-(1-ethoxyethenyl)-N-methyl-1,2-oxazol-3-amine;ethyl 3-(dimethylamino)benzoate;ethyl 2-[2-(methylamino)-1,3-thiazol-4-yl]acetate;ethyl 1-methyl-3-(methylamino)pyrazole-5-carboxylate;ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate;methane;methyl 3-(methylamino)-3-pyridin-2-ylpropanoate;methyl 2-(methylamino)-1,3-thiazole-4-carboxylate;methyl 2-methyl-3,4-dihydro-1H-isoquinoline-7-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate?

4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;N,4-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;5-(1-ethoxyethenyl)-N-methyl-1,2-oxazol-3-amine;ethyl 3-(dimethylamino)benzoate;ethyl 2-[2-(methylamino)-1,3-thiazol-4-yl]acetate;ethyl 1-methyl-3-(methylamino)pyrazole-5-carboxylate;ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate;methane;methyl 3-(methylamino)-3-pyridin-2-ylpropanoate;methyl 2-(methylamino)-1,3-thiazole-4-carboxylate;methyl 2-methyl-3,4-dihydro-1H-isoquinoline-7-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate has a molecular weight of 2143.77 g/mol, XLogP of 15.80, 33 rotatable bonds, 10 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;N,4-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;5-(1-ethoxyethenyl)-N-methyl-1,2-oxazol-3-amine;ethyl 3-(dimethylamino)benzoate;ethyl 2-[2-(methylamino)-1,3-thiazol-4-yl]acetate;ethyl 1-methyl-3-(methylamino)pyrazole-5-carboxylate;ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate;methane;methyl 3-(methylamino)-3-pyridin-2-ylpropanoate;methyl 2-(methylamino)-1,3-thiazole-4-carboxylate;methyl 2-methyl-3,4-dihydro-1H-isoquinoline-7-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate is sourced from PubChem (CID 158040747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).