6-methoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide

C23H17F3N2O2S — CID 45267552

About 6-methoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide

6-methoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide (PubChem CID 45267552) has the molecular formula C23H17F3N2O2S and a molecular weight of 442.46 g/mol. Its IUPAC name is 6-methoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide.

Molecular Properties

• Compound Name: 6-methoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide
• PubChem CID: 45267552
• Molecular Formula: C23H17F3N2O2S
• Molecular Weight: 442.46 g/mol
• Exact Mass: 442.10
• IUPAC Name: 6-methoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide
• SMILES: COc1ccc2cc(C(=O)Nc3ncc(Cc4cccc(C(F)(F)F)c4)s3)ccc2c1
• InChI: InChI=1S/C23H17F3N2O2S/c1-30-19-8-7-15-11-17(6-5-16(15)12-19)21(29)28-22-27-13-20(31-22)10-14-3-2-4-18(9-14)23(24,25)26/h2-9,11-13H,10H2,1H3,(H,27,28,29)
• InChIKey: RQDMDMIVEPJOKQ-UHFFFAOYSA-N
• XLogP: 6.17
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.46
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide?

The IUPAC name of 6-methoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide (CID 45267552) is 6-methoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide.

What is the SMILES notation for 6-methoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide?

The canonical SMILES for 6-methoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide is COc1ccc2cc(C(=O)Nc3ncc(Cc4cccc(C(F)(F)F)c4)s3)ccc2c1.

What is the InChIKey of 6-methoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide?

The InChIKey is RQDMDMIVEPJOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O2S/c1-30-19-8-7-15-11-17(6-5-16(15)12-19)21(29)28-22-27-13-20(31-22)10-14-3-2-4-18(9-14)23(24,25)26/h2-9,11-13H,10H2,1H3,(H,27,28,29).

What are the key properties of 6-methoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide?

6-methoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide has a molecular weight of 442.46 g/mol, XLogP of 6.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 45267552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).