4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;N,6-dimethylpyridin-2-amine;ethyl 2-ethyl-6-methylpyridine-4-carboxylate;ethyl 2-ethylpyridine-4-carboxylate;ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;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;4-methoxy-N-methylpyridin-2-amine;N-methylaniline;methyl 1-ethyl-4-(methylamino)pyrrole-2-carboxylate;methyl 2-(methylamino)-1,3-thiazole-4-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate

C106H156N26O20S5 — CID 158016823

About 4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;N,6-dimethylpyridin-2-amine;ethyl 2-ethyl-6-methylpyridine-4-carboxylate;ethyl 2-ethylpyridine-4-carboxylate;ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;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;4-methoxy-N-methylpyridin-2-amine;N-methylaniline;methyl 1-ethyl-4-(methylamino)pyrrole-2-carboxylate;methyl 2-(methylamino)-1,3-thiazole-4-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate

4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;N,6-dimethylpyridin-2-amine;ethyl 2-ethyl-6-methylpyridine-4-carboxylate;ethyl 2-ethylpyridine-4-carboxylate;ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;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;4-methoxy-N-methylpyridin-2-amine;N-methylaniline;methyl 1-ethyl-4-(methylamino)pyrrole-2-carboxylate;methyl 2-(methylamino)-1,3-thiazole-4-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate (PubChem CID 158016823) has the molecular formula C106H156N26O20S5 and a molecular weight of 2274.91 g/mol. Its IUPAC name is 4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;N,6-dimethylpyridin-2-amine;ethyl 2-ethyl-6-methylpyridine-4-carboxylate;ethyl 2-ethylpyridine-4-carboxylate;ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;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;4-methoxy-N-methylpyridin-2-amine;N-methylaniline;methyl 1-ethyl-4-(methylamino)pyrrole-2-carboxylate;methyl 2-(methylamino)-1,3-thiazole-4-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,6-dimethylpyridin-2-amine;ethyl 2-ethyl-6-methylpyridine-4-carboxylate;ethyl 2-ethylpyridine-4-carboxylate;ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;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;4-methoxy-N-methylpyridin-2-amine;N-methylaniline;methyl 1-ethyl-4-(methylamino)pyrrole-2-carboxylate;methyl 2-(methylamino)-1,3-thiazole-4-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate
• PubChem CID: 158016823
• Molecular Formula: C106H156N26O20S5
• Molecular Weight: 2274.91 g/mol
• Exact Mass: 2273.06
• IUPAC Name: 4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;N,6-dimethylpyridin-2-amine;ethyl 2-ethyl-6-methylpyridine-4-carboxylate;ethyl 2-ethylpyridine-4-carboxylate;ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;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;4-methoxy-N-methylpyridin-2-amine;N-methylaniline;methyl 1-ethyl-4-(methylamino)pyrrole-2-carboxylate;methyl 2-(methylamino)-1,3-thiazole-4-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate
• SMILES: CCCCc1nc(NC)sc1C(=O)N(C)C.CCOC(=O)Cc1csc(NC)n1.CCOC(=O)c1cc(C)nc(CC)c1.CCOC(=O)c1cc(NC)nn1C.CCOC(=O)c1ccnc(CC)c1.CCOC(=O)c1nnc(NC)s1.CCOC(=O)c1sc(NC)nc1C.CCn1cc(NC)cc1C(=O)OC.CNc1cc(C(=O)OC)n(C)c1.CNc1cc(OC)ccn1.CNc1cccc(C)n1.CNc1ccccc1.CNc1nc(C(=O)OC)cs1
• InChI: InChI=1S/C11H19N3OS.C11H15NO2.C10H13NO2.C9H14N2O2.C8H13N3O2.2C8H12N2O2S.C8H12N2O2.C7H10N2O.C7H10N2.C7H9N.C6H9N3O2S.C6H8N2O2S/c1-5-6-7-8-9(10(15)14(3)4)16-11(12-2)13-8;1-4-10-7-9(6-8(3)12-10)11(13)14-5-2;1-3-9-7-8(5-6-11-9)10(12)13-4-2;1-4-11-6-7(10-2)5-8(11)9(12)13-3;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;1-8-7-5-6(10-2)3-4-9-7;1-6-4-3-5-7(8-2)9-6;1-8-7-5-3-2-4-6-7;1-3-11-5(10)4-8-9-6(7-2)12-4;1-7-6-8-4(3-11-6)5(9)10-2/h5-7H2,1-4H3,(H,12,13);6-7H,4-5H2,1-3H3;5-7H,3-4H2,1-2H3;5-6,10H,4H2,1-3H3;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;3-5H,1-2H3,(H,8,9);3-5H,1-2H3,(H,8,9);2-6,8H,1H3;3H2,1-2H3,(H,7,9);3H,1-2H3,(H,7,8)
• InChIKey: FFOOZWYPSNTRBO-UHFFFAOYSA-N
• XLogP: 17.99
• TPSA: 555.15 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 50
• Rotatable Bonds: 35
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2274.91
LogP ≤ 5	17.99
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	50

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', '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,6-dimethylpyridin-2-amine;ethyl 2-ethyl-6-methylpyridine-4-carboxylate;ethyl 2-ethylpyridine-4-carboxylate;ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;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;4-methoxy-N-methylpyridin-2-amine;N-methylaniline;methyl 1-ethyl-4-(methylamino)pyrrole-2-carboxylate;methyl 2-(methylamino)-1,3-thiazole-4-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,6-dimethylpyridin-2-amine;ethyl 2-ethyl-6-methylpyridine-4-carboxylate;ethyl 2-ethylpyridine-4-carboxylate;ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;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;4-methoxy-N-methylpyridin-2-amine;N-methylaniline;methyl 1-ethyl-4-(methylamino)pyrrole-2-carboxylate;methyl 2-(methylamino)-1,3-thiazole-4-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate (CID 158016823) is 4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;N,6-dimethylpyridin-2-amine;ethyl 2-ethyl-6-methylpyridine-4-carboxylate;ethyl 2-ethylpyridine-4-carboxylate;ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;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;4-methoxy-N-methylpyridin-2-amine;N-methylaniline;methyl 1-ethyl-4-(methylamino)pyrrole-2-carboxylate;methyl 2-(methylamino)-1,3-thiazole-4-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,6-dimethylpyridin-2-amine;ethyl 2-ethyl-6-methylpyridine-4-carboxylate;ethyl 2-ethylpyridine-4-carboxylate;ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;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;4-methoxy-N-methylpyridin-2-amine;N-methylaniline;methyl 1-ethyl-4-(methylamino)pyrrole-2-carboxylate;methyl 2-(methylamino)-1,3-thiazole-4-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,6-dimethylpyridin-2-amine;ethyl 2-ethyl-6-methylpyridine-4-carboxylate;ethyl 2-ethylpyridine-4-carboxylate;ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;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;4-methoxy-N-methylpyridin-2-amine;N-methylaniline;methyl 1-ethyl-4-(methylamino)pyrrole-2-carboxylate;methyl 2-(methylamino)-1,3-thiazole-4-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate is CCCCc1nc(NC)sc1C(=O)N(C)C.CCOC(=O)Cc1csc(NC)n1.CCOC(=O)c1cc(C)nc(CC)c1.CCOC(=O)c1cc(NC)nn1C.CCOC(=O)c1ccnc(CC)c1.CCOC(=O)c1nnc(NC)s1.CCOC(=O)c1sc(NC)nc1C.CCn1cc(NC)cc1C(=O)OC.CNc1cc(C(=O)OC)n(C)c1.CNc1cc(OC)ccn1.CNc1cccc(C)n1.CNc1ccccc1.CNc1nc(C(=O)OC)cs1.

What is the InChIKey of 4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;N,6-dimethylpyridin-2-amine;ethyl 2-ethyl-6-methylpyridine-4-carboxylate;ethyl 2-ethylpyridine-4-carboxylate;ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;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;4-methoxy-N-methylpyridin-2-amine;N-methylaniline;methyl 1-ethyl-4-(methylamino)pyrrole-2-carboxylate;methyl 2-(methylamino)-1,3-thiazole-4-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate?

The InChIKey is FFOOZWYPSNTRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS.C11H15NO2.C10H13NO2.C9H14N2O2.C8H13N3O2.2C8H12N2O2S.C8H12N2O2.C7H10N2O.C7H10N2.C7H9N.C6H9N3O2S.C6H8N2O2S/c1-5-6-7-8-9(10(15)14(3)4)16-11(12-2)13-8;1-4-10-7-9(6-8(3)12-10)11(13)14-5-2;1-3-9-7-8(5-6-11-9)10(12)13-4-2;1-4-11-6-7(10-2)5-8(11)9(12)13-3;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;1-8-7-5-6(10-2)3-4-9-7;1-6-4-3-5-7(8-2)9-6;1-8-7-5-3-2-4-6-7;1-3-11-5(10)4-8-9-6(7-2)12-4;1-7-6-8-4(3-11-6)5(9)10-2/h5-7H2,1-4H3,(H,12,13);6-7H,4-5H2,1-3H3;5-7H,3-4H2,1-2H3;5-6,10H,4H2,1-3H3;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;3-5H,1-2H3,(H,8,9);3-5H,1-2H3,(H,8,9);2-6,8H,1H3;3H2,1-2H3,(H,7,9);3H,1-2H3,(H,7,8).

What are the key properties of 4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;N,6-dimethylpyridin-2-amine;ethyl 2-ethyl-6-methylpyridine-4-carboxylate;ethyl 2-ethylpyridine-4-carboxylate;ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;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;4-methoxy-N-methylpyridin-2-amine;N-methylaniline;methyl 1-ethyl-4-(methylamino)pyrrole-2-carboxylate;methyl 2-(methylamino)-1,3-thiazole-4-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate?

4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;N,6-dimethylpyridin-2-amine;ethyl 2-ethyl-6-methylpyridine-4-carboxylate;ethyl 2-ethylpyridine-4-carboxylate;ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;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;4-methoxy-N-methylpyridin-2-amine;N-methylaniline;methyl 1-ethyl-4-(methylamino)pyrrole-2-carboxylate;methyl 2-(methylamino)-1,3-thiazole-4-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate has a molecular weight of 2274.91 g/mol, XLogP of 17.99, 35 rotatable bonds, 11 hydrogen bond donors, and 50 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,6-dimethylpyridin-2-amine;ethyl 2-ethyl-6-methylpyridine-4-carboxylate;ethyl 2-ethylpyridine-4-carboxylate;ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;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;4-methoxy-N-methylpyridin-2-amine;N-methylaniline;methyl 1-ethyl-4-(methylamino)pyrrole-2-carboxylate;methyl 2-(methylamino)-1,3-thiazole-4-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate is sourced from PubChem (CID 158016823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).