7-(diethylamino)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one

C17H18N2O2S — CID 2313447

IUPAC7-(diethylamino)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one
SMILESCCN(CC)c1ccc2cc(-c3nc(C)cs3)c(=O)oc2c1
InChIInChI=1S/C17H18N2O2S/c1-4-19(5-2)13-7-6-12-8-14(16-18-11(3)10-22-16)17(20)21-15(12)9-13/h6-10H,4-5H2,1-3H3
InChIKeyWLISBEKZGNPZHY-UHFFFAOYSA-N
MW314.41 g/mol
LogP4.07
Rot. Bonds4

About 7-(diethylamino)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one

7-(diethylamino)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one (PubChem CID 2313447) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 7-(diethylamino)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one.

Molecular Properties

Compound Name7-(diethylamino)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one
PubChem CID2313447
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name7-(diethylamino)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one
SMILESCCN(CC)c1ccc2cc(-c3nc(C)cs3)c(=O)oc2c1
InChIInChI=1S/C17H18N2O2S/c1-4-19(5-2)13-7-6-12-8-14(16-18-11(3)10-22-16)17(20)21-15(12)9-13/h6-10H,4-5H2,1-3H3
InChIKeyWLISBEKZGNPZHY-UHFFFAOYSA-N
XLogP4.07
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 54.07
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-(4-methyl-1,3-thiazol-2-yl)chromen-2-one?
The IUPAC name of 7-(diethylamino)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one (CID 2313447) is 7-(diethylamino)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one.
What is the SMILES notation for 7-(diethylamino)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one?
The canonical SMILES for 7-(diethylamino)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one is CCN(CC)c1ccc2cc(-c3nc(C)cs3)c(=O)oc2c1.
What is the InChIKey of 7-(diethylamino)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one?
The InChIKey is WLISBEKZGNPZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-4-19(5-2)13-7-6-12-8-14(16-18-11(3)10-22-16)17(20)21-15(12)9-13/h6-10H,4-5H2,1-3H3.
What are the key properties of 7-(diethylamino)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one?
7-(diethylamino)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one has a molecular weight of 314.41 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one is sourced from PubChem (CID 2313447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).