2-(4-cyclopropylmorpholin-2-yl)-N-[6-[(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]-1,3-benzothiazol-2-yl]acetamide

C24H25N7O2S2 — CID 53472344

About 2-(4-cyclopropylmorpholin-2-yl)-N-[6-[(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]-1,3-benzothiazol-2-yl]acetamide

2-(4-cyclopropylmorpholin-2-yl)-N-[6-[(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]-1,3-benzothiazol-2-yl]acetamide (PubChem CID 53472344) has the molecular formula C24H25N7O2S2 and a molecular weight of 507.65 g/mol. Its IUPAC name is 2-(4-cyclopropylmorpholin-2-yl)-N-[6-[(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-(4-cyclopropylmorpholin-2-yl)-N-[6-[(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]-1,3-benzothiazol-2-yl]acetamide
• PubChem CID: 53472344
• Molecular Formula: C24H25N7O2S2
• Molecular Weight: 507.65 g/mol
• Exact Mass: 507.15
• IUPAC Name: 2-(4-cyclopropylmorpholin-2-yl)-N-[6-[(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]-1,3-benzothiazol-2-yl]acetamide
• SMILES: O=C(CC1CN(C2CC2)CCO1)Nc1nc2ccc(Sc3nnc4ccc(C5CC5)nn34)cc2s1
• InChI: InChI=1S/C24H25N7O2S2/c32-22(11-16-13-30(9-10-33-16)15-3-4-15)26-23-25-19-6-5-17(12-20(19)35-23)34-24-28-27-21-8-7-18(14-1-2-14)29-31(21)24/h5-8,12,14-16H,1-4,9-11,13H2,(H,25,26,32)
• InChIKey: TYICNCHFKQDFIQ-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 97.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.65
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylmorpholin-2-yl)-N-[6-[(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]-1,3-benzothiazol-2-yl]acetamide?

The IUPAC name of 2-(4-cyclopropylmorpholin-2-yl)-N-[6-[(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]-1,3-benzothiazol-2-yl]acetamide (CID 53472344) is 2-(4-cyclopropylmorpholin-2-yl)-N-[6-[(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]-1,3-benzothiazol-2-yl]acetamide.

What is the SMILES notation for 2-(4-cyclopropylmorpholin-2-yl)-N-[6-[(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]-1,3-benzothiazol-2-yl]acetamide?

The canonical SMILES for 2-(4-cyclopropylmorpholin-2-yl)-N-[6-[(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]-1,3-benzothiazol-2-yl]acetamide is O=C(CC1CN(C2CC2)CCO1)Nc1nc2ccc(Sc3nnc4ccc(C5CC5)nn34)cc2s1.

What is the InChIKey of 2-(4-cyclopropylmorpholin-2-yl)-N-[6-[(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]-1,3-benzothiazol-2-yl]acetamide?

The InChIKey is TYICNCHFKQDFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2S2/c32-22(11-16-13-30(9-10-33-16)15-3-4-15)26-23-25-19-6-5-17(12-20(19)35-23)34-24-28-27-21-8-7-18(14-1-2-14)29-31(21)24/h5-8,12,14-16H,1-4,9-11,13H2,(H,25,26,32).

What are the key properties of 2-(4-cyclopropylmorpholin-2-yl)-N-[6-[(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]-1,3-benzothiazol-2-yl]acetamide?

2-(4-cyclopropylmorpholin-2-yl)-N-[6-[(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 507.65 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyclopropylmorpholin-2-yl)-N-[6-[(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 53472344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).