1-(2-amino-1,3-benzothiazol-6-yl)-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylurea

C24H25N5O2S — CID 162383171

About 1-(2-amino-1,3-benzothiazol-6-yl)-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylurea

1-(2-amino-1,3-benzothiazol-6-yl)-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylurea (PubChem CID 162383171) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is 1-(2-amino-1,3-benzothiazol-6-yl)-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylurea.

Molecular Properties

• Compound Name: 1-(2-amino-1,3-benzothiazol-6-yl)-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylurea
• PubChem CID: 162383171
• Molecular Formula: C24H25N5O2S
• Molecular Weight: 447.56 g/mol
• Exact Mass: 447.17
• IUPAC Name: 1-(2-amino-1,3-benzothiazol-6-yl)-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylurea
• SMILES: Nc1nc2ccc(N(CCN3CCOCC3)C(=O)Nc3cccc4ccccc34)cc2s1
• InChI: InChI=1S/C24H25N5O2S/c25-23-26-21-9-8-18(16-22(21)32-23)29(11-10-28-12-14-31-15-13-28)24(30)27-20-7-3-5-17-4-1-2-6-19(17)20/h1-9,16H,10-15H2,(H2,25,26)(H,27,30)
• InChIKey: CCGSKIZLWIWQGD-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 83.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.56
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1,3-benzothiazol-6-yl)-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylurea?

The IUPAC name of 1-(2-amino-1,3-benzothiazol-6-yl)-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylurea (CID 162383171) is 1-(2-amino-1,3-benzothiazol-6-yl)-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylurea.

What is the SMILES notation for 1-(2-amino-1,3-benzothiazol-6-yl)-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylurea?

The canonical SMILES for 1-(2-amino-1,3-benzothiazol-6-yl)-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylurea is Nc1nc2ccc(N(CCN3CCOCC3)C(=O)Nc3cccc4ccccc34)cc2s1.

What is the InChIKey of 1-(2-amino-1,3-benzothiazol-6-yl)-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylurea?

The InChIKey is CCGSKIZLWIWQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c25-23-26-21-9-8-18(16-22(21)32-23)29(11-10-28-12-14-31-15-13-28)24(30)27-20-7-3-5-17-4-1-2-6-19(17)20/h1-9,16H,10-15H2,(H2,25,26)(H,27,30).

What are the key properties of 1-(2-amino-1,3-benzothiazol-6-yl)-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylurea?

1-(2-amino-1,3-benzothiazol-6-yl)-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylurea has a molecular weight of 447.56 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-amino-1,3-benzothiazol-6-yl)-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylurea is sourced from PubChem (CID 162383171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).