N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-propan-2-ylsulfanylbenzamide

C24H29N3O2S3 — CID 29278535

About N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-propan-2-ylsulfanylbenzamide

N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-propan-2-ylsulfanylbenzamide (PubChem CID 29278535) has the molecular formula C24H29N3O2S3 and a molecular weight of 487.72 g/mol. Its IUPAC name is N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-propan-2-ylsulfanylbenzamide.

Molecular Properties

• Compound Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-propan-2-ylsulfanylbenzamide
• PubChem CID: 29278535
• Molecular Formula: C24H29N3O2S3
• Molecular Weight: 487.72 g/mol
• Exact Mass: 487.14
• IUPAC Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-propan-2-ylsulfanylbenzamide
• SMILES: CSc1ccc2nc(N(CCN3CCOCC3)C(=O)c3ccc(SC(C)C)cc3)sc2c1
• InChI: InChI=1S/C24H29N3O2S3/c1-17(2)31-19-6-4-18(5-7-19)23(28)27(11-10-26-12-14-29-15-13-26)24-25-21-9-8-20(30-3)16-22(21)32-24/h4-9,16-17H,10-15H2,1-3H3
• InChIKey: AJJMOETUQDOWFW-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 45.67 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.72
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-propan-2-ylsulfanylbenzamide?

The IUPAC name of N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-propan-2-ylsulfanylbenzamide (CID 29278535) is N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-propan-2-ylsulfanylbenzamide.

What is the SMILES notation for N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-propan-2-ylsulfanylbenzamide?

The canonical SMILES for N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-propan-2-ylsulfanylbenzamide is CSc1ccc2nc(N(CCN3CCOCC3)C(=O)c3ccc(SC(C)C)cc3)sc2c1.

What is the InChIKey of N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-propan-2-ylsulfanylbenzamide?

The InChIKey is AJJMOETUQDOWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2S3/c1-17(2)31-19-6-4-18(5-7-19)23(28)27(11-10-26-12-14-29-15-13-26)24-25-21-9-8-20(30-3)16-22(21)32-24/h4-9,16-17H,10-15H2,1-3H3.

What are the key properties of N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-propan-2-ylsulfanylbenzamide?

N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-propan-2-ylsulfanylbenzamide has a molecular weight of 487.72 g/mol, XLogP of 5.50, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-propan-2-ylsulfanylbenzamide is sourced from PubChem (CID 29278535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).