2-chloro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylpyridin-4-amine;1-[5-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]-2-methylpropan-2-ol;7-[5-[5-(2-hydroxy-2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;propan-2-one;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile

C64H77BCl2N18O5S3 — CID 167653777

About 2-chloro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylpyridin-4-amine;1-[5-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]-2-methylpropan-2-ol;7-[5-[5-(2-hydroxy-2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;propan-2-one;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile

2-chloro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylpyridin-4-amine;1-[5-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]-2-methylpropan-2-ol;7-[5-[5-(2-hydroxy-2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;propan-2-one;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile (PubChem CID 167653777) has the molecular formula C64H77BCl2N18O5S3 and a molecular weight of 1356.36 g/mol. Its IUPAC name is 2-chloro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylpyridin-4-amine;1-[5-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]-2-methylpropan-2-ol;7-[5-[5-(2-hydroxy-2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;propan-2-one;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile.

Molecular Properties

• Compound Name: 2-chloro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylpyridin-4-amine;1-[5-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]-2-methylpropan-2-ol;7-[5-[5-(2-hydroxy-2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;propan-2-one;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile
• PubChem CID: 167653777
• Molecular Formula: C64H77BCl2N18O5S3
• Molecular Weight: 1356.36 g/mol
• Exact Mass: 1354.50
• IUPAC Name: 2-chloro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylpyridin-4-amine;1-[5-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]-2-methylpropan-2-ol;7-[5-[5-(2-hydroxy-2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;propan-2-one;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile
• SMILES: CC(C)=O.CC(C)Nc1cc(-c2ccc3cc(C#N)cnn23)ncc1-c1nnc(CC(C)(C)O)s1.CC(C)Nc1cc(Cl)ncc1-c1nnc(CC(C)(C)O)s1.CC1(C)OB(c2ccc3cc(C#N)cnn23)OC1(C)C.Cc1nnc(-c2cnc(Cl)cc2NC(C)C)s1
• InChI: InChI=1S/C22H23N7OS.C14H16BN3O2.C14H19ClN4OS.C11H13ClN4S.C3H6O/c1-13(2)26-17-8-18(19-6-5-15-7-14(10-23)11-25-29(15)19)24-12-16(17)21-28-27-20(31-21)9-22(3,4)30;1-13(2)14(3,4)20-15(19-13)12-6-5-11-7-10(8-16)9-17-18(11)12;1-8(2)17-10-5-11(15)16-7-9(10)13-19-18-12(21-13)6-14(3,4)20;1-6(2)14-9-4-10(12)13-5-8(9)11-16-15-7(3)17-11;1-3(2)4/h5-8,11-13,30H,9H2,1-4H3,(H,24,26);5-7,9H,1-4H3;5,7-8,20H,6H2,1-4H3,(H,16,17);4-6H,1-3H3,(H,13,14);1-2H3
• InChIKey: QYKVCPNESSTKCT-UHFFFAOYSA-N
• XLogP: 12.79
• TPSA: 310.27 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 15
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1356.36
LogP ≤ 5	12.79
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

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 2-chloro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylpyridin-4-amine;1-[5-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]-2-methylpropan-2-ol;7-[5-[5-(2-hydroxy-2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;propan-2-one;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile?

The IUPAC name of 2-chloro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylpyridin-4-amine;1-[5-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]-2-methylpropan-2-ol;7-[5-[5-(2-hydroxy-2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;propan-2-one;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile (CID 167653777) is 2-chloro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylpyridin-4-amine;1-[5-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]-2-methylpropan-2-ol;7-[5-[5-(2-hydroxy-2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;propan-2-one;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile.

What is the SMILES notation for 2-chloro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylpyridin-4-amine;1-[5-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]-2-methylpropan-2-ol;7-[5-[5-(2-hydroxy-2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;propan-2-one;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile?

The canonical SMILES for 2-chloro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylpyridin-4-amine;1-[5-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]-2-methylpropan-2-ol;7-[5-[5-(2-hydroxy-2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;propan-2-one;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile is CC(C)=O.CC(C)Nc1cc(-c2ccc3cc(C#N)cnn23)ncc1-c1nnc(CC(C)(C)O)s1.CC(C)Nc1cc(Cl)ncc1-c1nnc(CC(C)(C)O)s1.CC1(C)OB(c2ccc3cc(C#N)cnn23)OC1(C)C.Cc1nnc(-c2cnc(Cl)cc2NC(C)C)s1.

What is the InChIKey of 2-chloro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylpyridin-4-amine;1-[5-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]-2-methylpropan-2-ol;7-[5-[5-(2-hydroxy-2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;propan-2-one;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile?

The InChIKey is QYKVCPNESSTKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7OS.C14H16BN3O2.C14H19ClN4OS.C11H13ClN4S.C3H6O/c1-13(2)26-17-8-18(19-6-5-15-7-14(10-23)11-25-29(15)19)24-12-16(17)21-28-27-20(31-21)9-22(3,4)30;1-13(2)14(3,4)20-15(19-13)12-6-5-11-7-10(8-16)9-17-18(11)12;1-8(2)17-10-5-11(15)16-7-9(10)13-19-18-12(21-13)6-14(3,4)20;1-6(2)14-9-4-10(12)13-5-8(9)11-16-15-7(3)17-11;1-3(2)4/h5-8,11-13,30H,9H2,1-4H3,(H,24,26);5-7,9H,1-4H3;5,7-8,20H,6H2,1-4H3,(H,16,17);4-6H,1-3H3,(H,13,14);1-2H3.

What are the key properties of 2-chloro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylpyridin-4-amine;1-[5-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]-2-methylpropan-2-ol;7-[5-[5-(2-hydroxy-2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;propan-2-one;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile?

2-chloro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylpyridin-4-amine;1-[5-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]-2-methylpropan-2-ol;7-[5-[5-(2-hydroxy-2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;propan-2-one;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile has a molecular weight of 1356.36 g/mol, XLogP of 12.79, 15 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylpyridin-4-amine;1-[5-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]-2-methylpropan-2-ol;7-[5-[5-(2-hydroxy-2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;propan-2-one;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile is sourced from PubChem (CID 167653777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).