3-butyl-N,N-dimethyl-5-(methylamino)thiophene-2-carboxamide;N,N-dimethylaniline;N,4-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;4-(3,5-dimethylpyrazol-1-yl)-N-methylpyridin-2-amine;N,N-dimethylpyridin-2-amine;ethyl 2-[2-(methylamino)-1,3-thiazol-4-yl]acetate;ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate;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;N-methyl-4-pyrazol-1-ylpyridin-2-amine

C98H137N25O12S5 — CID 158370279

About 3-butyl-N,N-dimethyl-5-(methylamino)thiophene-2-carboxamide;N,N-dimethylaniline;N,4-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;4-(3,5-dimethylpyrazol-1-yl)-N-methylpyridin-2-amine;N,N-dimethylpyridin-2-amine;ethyl 2-[2-(methylamino)-1,3-thiazol-4-yl]acetate;ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate;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;N-methyl-4-pyrazol-1-ylpyridin-2-amine

3-butyl-N,N-dimethyl-5-(methylamino)thiophene-2-carboxamide;N,N-dimethylaniline;N,4-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;4-(3,5-dimethylpyrazol-1-yl)-N-methylpyridin-2-amine;N,N-dimethylpyridin-2-amine;ethyl 2-[2-(methylamino)-1,3-thiazol-4-yl]acetate;ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate;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;N-methyl-4-pyrazol-1-ylpyridin-2-amine (PubChem CID 158370279) has the molecular formula C98H137N25O12S5 and a molecular weight of 2017.67 g/mol. Its IUPAC name is 3-butyl-N,N-dimethyl-5-(methylamino)thiophene-2-carboxamide;N,N-dimethylaniline;N,4-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;4-(3,5-dimethylpyrazol-1-yl)-N-methylpyridin-2-amine;N,N-dimethylpyridin-2-amine;ethyl 2-[2-(methylamino)-1,3-thiazol-4-yl]acetate;ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate;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;N-methyl-4-pyrazol-1-ylpyridin-2-amine.

Molecular Properties

• Compound Name: 3-butyl-N,N-dimethyl-5-(methylamino)thiophene-2-carboxamide;N,N-dimethylaniline;N,4-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;4-(3,5-dimethylpyrazol-1-yl)-N-methylpyridin-2-amine;N,N-dimethylpyridin-2-amine;ethyl 2-[2-(methylamino)-1,3-thiazol-4-yl]acetate;ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate;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;N-methyl-4-pyrazol-1-ylpyridin-2-amine
• PubChem CID: 158370279
• Molecular Formula: C98H137N25O12S5
• Molecular Weight: 2017.67 g/mol
• Exact Mass: 2015.95
• IUPAC Name: 3-butyl-N,N-dimethyl-5-(methylamino)thiophene-2-carboxamide;N,N-dimethylaniline;N,4-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;4-(3,5-dimethylpyrazol-1-yl)-N-methylpyridin-2-amine;N,N-dimethylpyridin-2-amine;ethyl 2-[2-(methylamino)-1,3-thiazol-4-yl]acetate;ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate;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;N-methyl-4-pyrazol-1-ylpyridin-2-amine
• SMILES: CCCCc1cc(NC)sc1C(=O)N(C)C.CCOC(=O)Cc1csc(NC)n1.CCOC(=O)c1sc(NC)nc1C.CN(C)c1ccccc1.CN(C)c1ccccn1.CNC(=O)c1sc(NC)nc1C.CNC(CC(=O)OC)c1ccccn1.CNc1cc(-n2cccn2)ccn1.CNc1cc(-n2nc(C)cc2C)ccn1.CNc1nc(C(=O)OC)cs1.COC(=O)c1ccc2c(c1)CN(C)CC2
• InChI: InChI=1S/C12H20N2OS.C12H15NO2.C11H14N4.C10H14N2O2.C9H10N4.2C8H12N2O2S.C8H11N.C7H11N3OS.C7H10N2.C6H8N2O2S/c1-5-6-7-9-8-10(13-2)16-11(9)12(15)14(3)4;1-13-6-5-9-3-4-10(12(14)15-2)7-11(9)8-13;1-8-6-9(2)15(14-8)10-4-5-13-11(7-10)12-3;1-11-9(7-10(13)14-2)8-5-3-4-6-12-8;1-10-9-7-8(3-5-11-9)13-6-2-4-12-13;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(2)8-6-4-3-5-7-8;1-4-5(6(11)8-2)12-7(9-3)10-4;1-9(2)7-5-3-4-6-8-7;1-7-6-8-4(3-11-6)5(9)10-2/h8,13H,5-7H2,1-4H3;3-4,7H,5-6,8H2,1-2H3;4-7H,1-3H3,(H,12,13);3-6,9,11H,7H2,1-2H3;2-7H,1H3,(H,10,11);4H2,1-3H3,(H,9,10);5H,3-4H2,1-2H3,(H,9,10);3-7H,1-2H3;1-3H3,(H,8,11)(H,9,10);3-6H,1-2H3;3H,1-2H3,(H,7,8)
• InChIKey: GUNJJOTWSXQMCW-UHFFFAOYSA-N
• XLogP: 16.12
• TPSA: 425.63 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 40
• Rotatable Bonds: 27
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2017.67
LogP ≤ 5	16.12
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-butyl-N,N-dimethyl-5-(methylamino)thiophene-2-carboxamide;N,N-dimethylaniline;N,4-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;4-(3,5-dimethylpyrazol-1-yl)-N-methylpyridin-2-amine;N,N-dimethylpyridin-2-amine;ethyl 2-[2-(methylamino)-1,3-thiazol-4-yl]acetate;ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate;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;N-methyl-4-pyrazol-1-ylpyridin-2-amine?

The IUPAC name of 3-butyl-N,N-dimethyl-5-(methylamino)thiophene-2-carboxamide;N,N-dimethylaniline;N,4-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;4-(3,5-dimethylpyrazol-1-yl)-N-methylpyridin-2-amine;N,N-dimethylpyridin-2-amine;ethyl 2-[2-(methylamino)-1,3-thiazol-4-yl]acetate;ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate;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;N-methyl-4-pyrazol-1-ylpyridin-2-amine (CID 158370279) is 3-butyl-N,N-dimethyl-5-(methylamino)thiophene-2-carboxamide;N,N-dimethylaniline;N,4-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;4-(3,5-dimethylpyrazol-1-yl)-N-methylpyridin-2-amine;N,N-dimethylpyridin-2-amine;ethyl 2-[2-(methylamino)-1,3-thiazol-4-yl]acetate;ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate;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;N-methyl-4-pyrazol-1-ylpyridin-2-amine.

What is the SMILES notation for 3-butyl-N,N-dimethyl-5-(methylamino)thiophene-2-carboxamide;N,N-dimethylaniline;N,4-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;4-(3,5-dimethylpyrazol-1-yl)-N-methylpyridin-2-amine;N,N-dimethylpyridin-2-amine;ethyl 2-[2-(methylamino)-1,3-thiazol-4-yl]acetate;ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate;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;N-methyl-4-pyrazol-1-ylpyridin-2-amine?

The canonical SMILES for 3-butyl-N,N-dimethyl-5-(methylamino)thiophene-2-carboxamide;N,N-dimethylaniline;N,4-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;4-(3,5-dimethylpyrazol-1-yl)-N-methylpyridin-2-amine;N,N-dimethylpyridin-2-amine;ethyl 2-[2-(methylamino)-1,3-thiazol-4-yl]acetate;ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate;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;N-methyl-4-pyrazol-1-ylpyridin-2-amine is CCCCc1cc(NC)sc1C(=O)N(C)C.CCOC(=O)Cc1csc(NC)n1.CCOC(=O)c1sc(NC)nc1C.CN(C)c1ccccc1.CN(C)c1ccccn1.CNC(=O)c1sc(NC)nc1C.CNC(CC(=O)OC)c1ccccn1.CNc1cc(-n2cccn2)ccn1.CNc1cc(-n2nc(C)cc2C)ccn1.CNc1nc(C(=O)OC)cs1.COC(=O)c1ccc2c(c1)CN(C)CC2.

What is the InChIKey of 3-butyl-N,N-dimethyl-5-(methylamino)thiophene-2-carboxamide;N,N-dimethylaniline;N,4-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;4-(3,5-dimethylpyrazol-1-yl)-N-methylpyridin-2-amine;N,N-dimethylpyridin-2-amine;ethyl 2-[2-(methylamino)-1,3-thiazol-4-yl]acetate;ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate;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;N-methyl-4-pyrazol-1-ylpyridin-2-amine?

The InChIKey is GUNJJOTWSXQMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS.C12H15NO2.C11H14N4.C10H14N2O2.C9H10N4.2C8H12N2O2S.C8H11N.C7H11N3OS.C7H10N2.C6H8N2O2S/c1-5-6-7-9-8-10(13-2)16-11(9)12(15)14(3)4;1-13-6-5-9-3-4-10(12(14)15-2)7-11(9)8-13;1-8-6-9(2)15(14-8)10-4-5-13-11(7-10)12-3;1-11-9(7-10(13)14-2)8-5-3-4-6-12-8;1-10-9-7-8(3-5-11-9)13-6-2-4-12-13;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(2)8-6-4-3-5-7-8;1-4-5(6(11)8-2)12-7(9-3)10-4;1-9(2)7-5-3-4-6-8-7;1-7-6-8-4(3-11-6)5(9)10-2/h8,13H,5-7H2,1-4H3;3-4,7H,5-6,8H2,1-2H3;4-7H,1-3H3,(H,12,13);3-6,9,11H,7H2,1-2H3;2-7H,1H3,(H,10,11);4H2,1-3H3,(H,9,10);5H,3-4H2,1-2H3,(H,9,10);3-7H,1-2H3;1-3H3,(H,8,11)(H,9,10);3-6H,1-2H3;3H,1-2H3,(H,7,8).

What are the key properties of 3-butyl-N,N-dimethyl-5-(methylamino)thiophene-2-carboxamide;N,N-dimethylaniline;N,4-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;4-(3,5-dimethylpyrazol-1-yl)-N-methylpyridin-2-amine;N,N-dimethylpyridin-2-amine;ethyl 2-[2-(methylamino)-1,3-thiazol-4-yl]acetate;ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate;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;N-methyl-4-pyrazol-1-ylpyridin-2-amine?

3-butyl-N,N-dimethyl-5-(methylamino)thiophene-2-carboxamide;N,N-dimethylaniline;N,4-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;4-(3,5-dimethylpyrazol-1-yl)-N-methylpyridin-2-amine;N,N-dimethylpyridin-2-amine;ethyl 2-[2-(methylamino)-1,3-thiazol-4-yl]acetate;ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate;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;N-methyl-4-pyrazol-1-ylpyridin-2-amine has a molecular weight of 2017.67 g/mol, XLogP of 16.12, 27 rotatable bonds, 9 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 3-butyl-N,N-dimethyl-5-(methylamino)thiophene-2-carboxamide;N,N-dimethylaniline;N,4-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;4-(3,5-dimethylpyrazol-1-yl)-N-methylpyridin-2-amine;N,N-dimethylpyridin-2-amine;ethyl 2-[2-(methylamino)-1,3-thiazol-4-yl]acetate;ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate;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;N-methyl-4-pyrazol-1-ylpyridin-2-amine is sourced from PubChem (CID 158370279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).