N-(2-acetamido-1,3-thiazol-4-yl)-6-chloro-4-(propan-2-ylamino)pyridine-3-carboxamide;N-(2-acetamido-1,3-thiazol-4-yl)-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide;N-(2-amino-1,3-thiazol-4-yl)-6-chloro-4-(propan-2-ylamino)pyridine-3-carboxamide;6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylic acid;methane;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;1,3-thiazole-2,4-diamine

C75H86BCl3N26O9S4 — CID 157196167

About N-(2-acetamido-1,3-thiazol-4-yl)-6-chloro-4-(propan-2-ylamino)pyridine-3-carboxamide;N-(2-acetamido-1,3-thiazol-4-yl)-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide;N-(2-amino-1,3-thiazol-4-yl)-6-chloro-4-(propan-2-ylamino)pyridine-3-carboxamide;6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylic acid;methane;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;1,3-thiazole-2,4-diamine

N-(2-acetamido-1,3-thiazol-4-yl)-6-chloro-4-(propan-2-ylamino)pyridine-3-carboxamide;N-(2-acetamido-1,3-thiazol-4-yl)-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide;N-(2-amino-1,3-thiazol-4-yl)-6-chloro-4-(propan-2-ylamino)pyridine-3-carboxamide;6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylic acid;methane;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;1,3-thiazole-2,4-diamine (PubChem CID 157196167) has the molecular formula C75H86BCl3N26O9S4 and a molecular weight of 1741.12 g/mol. Its IUPAC name is N-(2-acetamido-1,3-thiazol-4-yl)-6-chloro-4-(propan-2-ylamino)pyridine-3-carboxamide;N-(2-acetamido-1,3-thiazol-4-yl)-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide;N-(2-amino-1,3-thiazol-4-yl)-6-chloro-4-(propan-2-ylamino)pyridine-3-carboxamide;6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylic acid;methane;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;1,3-thiazole-2,4-diamine.

Molecular Properties

• Compound Name: N-(2-acetamido-1,3-thiazol-4-yl)-6-chloro-4-(propan-2-ylamino)pyridine-3-carboxamide;N-(2-acetamido-1,3-thiazol-4-yl)-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide;N-(2-amino-1,3-thiazol-4-yl)-6-chloro-4-(propan-2-ylamino)pyridine-3-carboxamide;6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylic acid;methane;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;1,3-thiazole-2,4-diamine
• PubChem CID: 157196167
• Molecular Formula: C75H86BCl3N26O9S4
• Molecular Weight: 1741.12 g/mol
• Exact Mass: 1738.51
• IUPAC Name: N-(2-acetamido-1,3-thiazol-4-yl)-6-chloro-4-(propan-2-ylamino)pyridine-3-carboxamide;N-(2-acetamido-1,3-thiazol-4-yl)-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide;N-(2-amino-1,3-thiazol-4-yl)-6-chloro-4-(propan-2-ylamino)pyridine-3-carboxamide;6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylic acid;methane;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;1,3-thiazole-2,4-diamine
• SMILES: C.CC(=O)Nc1nc(NC(=O)c2cnc(-c3ccc4cc(C#N)cnn34)cc2NC(C)C)cs1.CC(=O)Nc1nc(NC(=O)c2cnc(Cl)cc2NC(C)C)cs1.CC(C)Nc1cc(Cl)ncc1C(=O)Nc1csc(N)n1.CC(C)Nc1cc(Cl)ncc1C(=O)O.CC1(C)OB(c2ccc3cc(C#N)cnn23)OC1(C)C.Nc1csc(N)n1
• InChI: InChI=1S/C22H20N8O2S.C14H16BN3O2.C14H16ClN5O2S.C12H14ClN5OS.C9H11ClN2O2.C3H5N3S.CH4/c1-12(2)26-17-7-18(19-5-4-15-6-14(8-23)9-25-30(15)19)24-10-16(17)21(32)28-20-11-33-22(29-20)27-13(3)31;1-13(2)14(3,4)20-15(19-13)12-6-5-11-7-10(8-16)9-17-18(11)12;1-7(2)17-10-4-11(15)16-5-9(10)13(22)19-12-6-23-14(20-12)18-8(3)21;1-6(2)16-8-3-9(13)15-4-7(8)11(19)17-10-5-20-12(14)18-10;1-5(2)12-7-3-8(10)11-4-6(7)9(13)14;4-2-1-7-3(5)6-2;/h4-7,9-12H,1-3H3,(H,24,26)(H,28,32)(H,27,29,31);5-7,9H,1-4H3;4-7H,1-3H3,(H,16,17)(H,19,22)(H,18,20,21);3-6H,1-2H3,(H2,14,18)(H,15,16)(H,17,19);3-5H,1-2H3,(H,11,12)(H,13,14);1H,4H2,(H2,5,6);1H4
• InChIKey: AQGVEZXXNGKCNU-UHFFFAOYSA-N
• XLogP: 14.53
• TPSA: 512.74 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 33
• Rotatable Bonds: 19
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1741.12
LogP ≤ 5	14.53
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-1,3-thiazol-4-yl)-6-chloro-4-(propan-2-ylamino)pyridine-3-carboxamide;N-(2-acetamido-1,3-thiazol-4-yl)-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide;N-(2-amino-1,3-thiazol-4-yl)-6-chloro-4-(propan-2-ylamino)pyridine-3-carboxamide;6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylic acid;methane;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;1,3-thiazole-2,4-diamine?

The IUPAC name of N-(2-acetamido-1,3-thiazol-4-yl)-6-chloro-4-(propan-2-ylamino)pyridine-3-carboxamide;N-(2-acetamido-1,3-thiazol-4-yl)-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide;N-(2-amino-1,3-thiazol-4-yl)-6-chloro-4-(propan-2-ylamino)pyridine-3-carboxamide;6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylic acid;methane;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;1,3-thiazole-2,4-diamine (CID 157196167) is N-(2-acetamido-1,3-thiazol-4-yl)-6-chloro-4-(propan-2-ylamino)pyridine-3-carboxamide;N-(2-acetamido-1,3-thiazol-4-yl)-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide;N-(2-amino-1,3-thiazol-4-yl)-6-chloro-4-(propan-2-ylamino)pyridine-3-carboxamide;6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylic acid;methane;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;1,3-thiazole-2,4-diamine.

What is the SMILES notation for N-(2-acetamido-1,3-thiazol-4-yl)-6-chloro-4-(propan-2-ylamino)pyridine-3-carboxamide;N-(2-acetamido-1,3-thiazol-4-yl)-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide;N-(2-amino-1,3-thiazol-4-yl)-6-chloro-4-(propan-2-ylamino)pyridine-3-carboxamide;6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylic acid;methane;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;1,3-thiazole-2,4-diamine?

The canonical SMILES for N-(2-acetamido-1,3-thiazol-4-yl)-6-chloro-4-(propan-2-ylamino)pyridine-3-carboxamide;N-(2-acetamido-1,3-thiazol-4-yl)-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide;N-(2-amino-1,3-thiazol-4-yl)-6-chloro-4-(propan-2-ylamino)pyridine-3-carboxamide;6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylic acid;methane;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;1,3-thiazole-2,4-diamine is C.CC(=O)Nc1nc(NC(=O)c2cnc(-c3ccc4cc(C#N)cnn34)cc2NC(C)C)cs1.CC(=O)Nc1nc(NC(=O)c2cnc(Cl)cc2NC(C)C)cs1.CC(C)Nc1cc(Cl)ncc1C(=O)Nc1csc(N)n1.CC(C)Nc1cc(Cl)ncc1C(=O)O.CC1(C)OB(c2ccc3cc(C#N)cnn23)OC1(C)C.Nc1csc(N)n1.

What is the InChIKey of N-(2-acetamido-1,3-thiazol-4-yl)-6-chloro-4-(propan-2-ylamino)pyridine-3-carboxamide;N-(2-acetamido-1,3-thiazol-4-yl)-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide;N-(2-amino-1,3-thiazol-4-yl)-6-chloro-4-(propan-2-ylamino)pyridine-3-carboxamide;6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylic acid;methane;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;1,3-thiazole-2,4-diamine?

The InChIKey is AQGVEZXXNGKCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N8O2S.C14H16BN3O2.C14H16ClN5O2S.C12H14ClN5OS.C9H11ClN2O2.C3H5N3S.CH4/c1-12(2)26-17-7-18(19-5-4-15-6-14(8-23)9-25-30(15)19)24-10-16(17)21(32)28-20-11-33-22(29-20)27-13(3)31;1-13(2)14(3,4)20-15(19-13)12-6-5-11-7-10(8-16)9-17-18(11)12;1-7(2)17-10-4-11(15)16-5-9(10)13(22)19-12-6-23-14(20-12)18-8(3)21;1-6(2)16-8-3-9(13)15-4-7(8)11(19)17-10-5-20-12(14)18-10;1-5(2)12-7-3-8(10)11-4-6(7)9(13)14;4-2-1-7-3(5)6-2;/h4-7,9-12H,1-3H3,(H,24,26)(H,28,32)(H,27,29,31);5-7,9H,1-4H3;4-7H,1-3H3,(H,16,17)(H,19,22)(H,18,20,21);3-6H,1-2H3,(H2,14,18)(H,15,16)(H,17,19);3-5H,1-2H3,(H,11,12)(H,13,14);1H,4H2,(H2,5,6);1H4.

What are the key properties of N-(2-acetamido-1,3-thiazol-4-yl)-6-chloro-4-(propan-2-ylamino)pyridine-3-carboxamide;N-(2-acetamido-1,3-thiazol-4-yl)-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide;N-(2-amino-1,3-thiazol-4-yl)-6-chloro-4-(propan-2-ylamino)pyridine-3-carboxamide;6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylic acid;methane;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;1,3-thiazole-2,4-diamine?

N-(2-acetamido-1,3-thiazol-4-yl)-6-chloro-4-(propan-2-ylamino)pyridine-3-carboxamide;N-(2-acetamido-1,3-thiazol-4-yl)-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide;N-(2-amino-1,3-thiazol-4-yl)-6-chloro-4-(propan-2-ylamino)pyridine-3-carboxamide;6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylic acid;methane;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;1,3-thiazole-2,4-diamine has a molecular weight of 1741.12 g/mol, XLogP of 14.53, 19 rotatable bonds, 13 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-acetamido-1,3-thiazol-4-yl)-6-chloro-4-(propan-2-ylamino)pyridine-3-carboxamide;N-(2-acetamido-1,3-thiazol-4-yl)-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide;N-(2-amino-1,3-thiazol-4-yl)-6-chloro-4-(propan-2-ylamino)pyridine-3-carboxamide;6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylic acid;methane;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;1,3-thiazole-2,4-diamine is sourced from PubChem (CID 157196167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).