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

C16H16N2O2S — CID 15491447

IUPAC7-(diethylamino)-3-(1,3-thiazol-2-yl)chromen-2-one
SMILESCCN(CC)c1ccc2cc(-c3nccs3)c(=O)oc2c1
InChIInChI=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
InChIKeyXLGUJYIVJKBRTQ-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.76
Rot. Bonds4

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 Name7-(diethylamino)-3-(1,3-thiazol-2-yl)chromen-2-one
PubChem CID15491447
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name7-(diethylamino)-3-(1,3-thiazol-2-yl)chromen-2-one
SMILESCCN(CC)c1ccc2cc(-c3nccs3)c(=O)oc2c1
InChIInChI=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
InChIKeyXLGUJYIVJKBRTQ-UHFFFAOYSA-N
XLogP3.76
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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).