5-[(4-ethenylbenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide

C23H18N4O2S — CID 118062057

About 5-[(4-ethenylbenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide

5-[(4-ethenylbenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide (PubChem CID 118062057) has the molecular formula C23H18N4O2S and a molecular weight of 414.49 g/mol. Its IUPAC name is 5-[(4-ethenylbenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-ethenylbenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
• PubChem CID: 118062057
• Molecular Formula: C23H18N4O2S
• Molecular Weight: 414.49 g/mol
• Exact Mass: 414.12
• IUPAC Name: 5-[(4-ethenylbenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
• SMILES: C=Cc1ccc(C(=O)Nc2sc(Nc3ccc4ccccc4c3)nc2C(N)=O)cc1
• InChI: InChI=1S/C23H18N4O2S/c1-2-14-7-9-16(10-8-14)21(29)27-22-19(20(24)28)26-23(30-22)25-18-12-11-15-5-3-4-6-17(15)13-18/h2-13H,1H2,(H2,24,28)(H,25,26)(H,27,29)
• InChIKey: YKWFLUIZLQRRLO-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 97.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	414.49
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethenylbenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?

The IUPAC name of 5-[(4-ethenylbenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide (CID 118062057) is 5-[(4-ethenylbenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 5-[(4-ethenylbenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?

The canonical SMILES for 5-[(4-ethenylbenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide is C=Cc1ccc(C(=O)Nc2sc(Nc3ccc4ccccc4c3)nc2C(N)=O)cc1.

What is the InChIKey of 5-[(4-ethenylbenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?

The InChIKey is YKWFLUIZLQRRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2S/c1-2-14-7-9-16(10-8-14)21(29)27-22-19(20(24)28)26-23(30-22)25-18-12-11-15-5-3-4-6-17(15)13-18/h2-13H,1H2,(H2,24,28)(H,25,26)(H,27,29).

What are the key properties of 5-[(4-ethenylbenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?

5-[(4-ethenylbenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 414.49 g/mol, XLogP of 5.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-ethenylbenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 118062057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).