N-[1-oxo-1-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]amino]propan-2-yl]benzamide

C23H23N3O2S — CID 4555376

About N-[1-oxo-1-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]amino]propan-2-yl]benzamide

N-[1-oxo-1-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]amino]propan-2-yl]benzamide (PubChem CID 4555376) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[1-oxo-1-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]amino]propan-2-yl]benzamide.

Molecular Properties

• Compound Name: N-[1-oxo-1-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]amino]propan-2-yl]benzamide
• PubChem CID: 4555376
• Molecular Formula: C23H23N3O2S
• Molecular Weight: 405.52 g/mol
• Exact Mass: 405.15
• IUPAC Name: N-[1-oxo-1-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]amino]propan-2-yl]benzamide
• SMILES: CC(NC(=O)c1ccccc1)C(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1
• InChI: InChI=1S/C23H23N3O2S/c1-15(24-22(28)17-8-3-2-4-9-17)21(27)26-23-25-20(14-29-23)19-12-11-16-7-5-6-10-18(16)13-19/h2-4,8-9,11-15H,5-7,10H2,1H3,(H,24,28)(H,25,26,27)
• InChIKey: MTYLODNQABRUSE-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.52
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]amino]propan-2-yl]benzamide?

The IUPAC name of N-[1-oxo-1-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]amino]propan-2-yl]benzamide (CID 4555376) is N-[1-oxo-1-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]amino]propan-2-yl]benzamide.

What is the SMILES notation for N-[1-oxo-1-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]amino]propan-2-yl]benzamide?

The canonical SMILES for N-[1-oxo-1-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]amino]propan-2-yl]benzamide is CC(NC(=O)c1ccccc1)C(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1.

What is the InChIKey of N-[1-oxo-1-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]amino]propan-2-yl]benzamide?

The InChIKey is MTYLODNQABRUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-15(24-22(28)17-8-3-2-4-9-17)21(27)26-23-25-20(14-29-23)19-12-11-16-7-5-6-10-18(16)13-19/h2-4,8-9,11-15H,5-7,10H2,1H3,(H,24,28)(H,25,26,27).

What are the key properties of N-[1-oxo-1-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]amino]propan-2-yl]benzamide?

N-[1-oxo-1-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]amino]propan-2-yl]benzamide has a molecular weight of 405.52 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-oxo-1-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]amino]propan-2-yl]benzamide is sourced from PubChem (CID 4555376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).