2-[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]ethyl 2-(2-amino-1,3-thiazol-4-yl)acetate

C24H22N6O3S — CID 6417616

About 2-[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]ethyl 2-(2-amino-1,3-thiazol-4-yl)acetate

2-[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]ethyl 2-(2-amino-1,3-thiazol-4-yl)acetate (PubChem CID 6417616) has the molecular formula C24H22N6O3S and a molecular weight of 474.55 g/mol. Its IUPAC name is 2-[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]ethyl 2-(2-amino-1,3-thiazol-4-yl)acetate.

Molecular Properties

• Compound Name: 2-[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]ethyl 2-(2-amino-1,3-thiazol-4-yl)acetate
• PubChem CID: 6417616
• Molecular Formula: C24H22N6O3S
• Molecular Weight: 474.55 g/mol
• Exact Mass: 474.15
• IUPAC Name: 2-[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]ethyl 2-(2-amino-1,3-thiazol-4-yl)acetate
• SMILES: Nc1nc(CC(=O)OCCc2ccccc2NC(=O)Nc2ccc(-c3ccccc3)nn2)cs1
• InChI: InChI=1S/C24H22N6O3S/c25-23-26-18(15-34-23)14-22(31)33-13-12-17-8-4-5-9-19(17)27-24(32)28-21-11-10-20(29-30-21)16-6-2-1-3-7-16/h1-11,15H,12-14H2,(H2,25,26)(H2,27,28,30,32)
• InChIKey: NTMJSBZKCAHAEK-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 132.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.55
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]ethyl 2-(2-amino-1,3-thiazol-4-yl)acetate?

The IUPAC name of 2-[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]ethyl 2-(2-amino-1,3-thiazol-4-yl)acetate (CID 6417616) is 2-[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]ethyl 2-(2-amino-1,3-thiazol-4-yl)acetate.

What is the SMILES notation for 2-[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]ethyl 2-(2-amino-1,3-thiazol-4-yl)acetate?

The canonical SMILES for 2-[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]ethyl 2-(2-amino-1,3-thiazol-4-yl)acetate is Nc1nc(CC(=O)OCCc2ccccc2NC(=O)Nc2ccc(-c3ccccc3)nn2)cs1.

What is the InChIKey of 2-[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]ethyl 2-(2-amino-1,3-thiazol-4-yl)acetate?

The InChIKey is NTMJSBZKCAHAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O3S/c25-23-26-18(15-34-23)14-22(31)33-13-12-17-8-4-5-9-19(17)27-24(32)28-21-11-10-20(29-30-21)16-6-2-1-3-7-16/h1-11,15H,12-14H2,(H2,25,26)(H2,27,28,30,32).

What are the key properties of 2-[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]ethyl 2-(2-amino-1,3-thiazol-4-yl)acetate?

2-[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]ethyl 2-(2-amino-1,3-thiazol-4-yl)acetate has a molecular weight of 474.55 g/mol, XLogP of 4.15, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]ethyl 2-(2-amino-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 6417616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).