7-(diethylamino)-3-(1,3-thiazol-2-yl)chromen-2-one

C₁₆H₁₆N₂O₂S — CID 15491447

About 7-(diethylamino)-3-(1,3-thiazol-2-yl)chromen-2-one

7-(diethylamino)-3-(1,3-thiazol-2-yl)chromen-2-one (PubChem CID 15491447) has the molecular formula C₁₆H₁₆N₂O₂S and a molecular weight of 300.38 g/mol. Its IUPAC name is 7-(diethylamino)-3-(1,3-thiazol-2-yl)chromen-2-one.

Molecular Properties

• Compound Name: 7-(diethylamino)-3-(1,3-thiazol-2-yl)chromen-2-one
• PubChem CID: 15491447
• Molecular Formula: C₁₆H₁₆N₂O₂S
• Molecular Weight: 300.38 g/mol
• Exact Mass: 300.09
• IUPAC Name: 7-(diethylamino)-3-(1,3-thiazol-2-yl)chromen-2-one
• SMILES: CCN(CC)c1ccc2cc(-c3nccs3)c(=O)oc2c1
• InChI: InChI=1S/C16H16N2O2S/c1-3-18(4-2)12-6-5-11-9-13(15-17-7-8-21-15)16(19)20-14(11)10-12/h5-10H,3-4H2,1-2H3
• InChIKey: XLGUJYIVJKBRTQ-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 46.34 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	300.38
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cumarine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-3-(1,3-thiazol-2-yl)chromen-2-one?

The IUPAC name of 7-(diethylamino)-3-(1,3-thiazol-2-yl)chromen-2-one (CID 15491447) is 7-(diethylamino)-3-(1,3-thiazol-2-yl)chromen-2-one.

What is the SMILES notation for 7-(diethylamino)-3-(1,3-thiazol-2-yl)chromen-2-one?

The canonical SMILES for 7-(diethylamino)-3-(1,3-thiazol-2-yl)chromen-2-one is CCN(CC)c1ccc2cc(-c3nccs3)c(=O)oc2c1.

What is the InChIKey of 7-(diethylamino)-3-(1,3-thiazol-2-yl)chromen-2-one?

The InChIKey is XLGUJYIVJKBRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-3-18(4-2)12-6-5-11-9-13(15-17-7-8-21-15)16(19)20-14(11)10-12/h5-10H,3-4H2,1-2H3.

What are the key properties of 7-(diethylamino)-3-(1,3-thiazol-2-yl)chromen-2-one?

7-(diethylamino)-3-(1,3-thiazol-2-yl)chromen-2-one has a molecular weight of 300.38 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(diethylamino)-3-(1,3-thiazol-2-yl)chromen-2-one is sourced from PubChem (CID 15491447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 15491447 — identifiers, structure, computed properties (public domain)

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