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

C17H15F3N2O2S — CID 134911772

IUPAC7-(diethylamino)-3-(1,3-thiazol-2-yl)-4-(trifluoromethyl)chromen-2-one
SMILESCCN(CC)c1ccc2c(C(F)(F)F)c(-c3nccs3)c(=O)oc2c1
InChIInChI=1S/C17H15F3N2O2S/c1-3-22(4-2)10-5-6-11-12(9-10)24-16(23)13(14(11)17(18,19)20)15-21-7-8-25-15/h5-9H,3-4H2,1-2H3
InChIKeyLVCNOXWTHLKHBO-UHFFFAOYSA-N
MW368.38 g/mol
LogP4.78
Rot. Bonds4

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

7-(diethylamino)-3-(1,3-thiazol-2-yl)-4-(trifluoromethyl)chromen-2-one (PubChem CID 134911772) has the molecular formula C17H15F3N2O2S and a molecular weight of 368.38 g/mol. Its IUPAC name is 7-(diethylamino)-3-(1,3-thiazol-2-yl)-4-(trifluoromethyl)chromen-2-one.

Molecular Properties

Compound Name7-(diethylamino)-3-(1,3-thiazol-2-yl)-4-(trifluoromethyl)chromen-2-one
PubChem CID134911772
Molecular FormulaC17H15F3N2O2S
Molecular Weight368.38 g/mol
Exact Mass368.08
IUPAC Name7-(diethylamino)-3-(1,3-thiazol-2-yl)-4-(trifluoromethyl)chromen-2-one
SMILESCCN(CC)c1ccc2c(C(F)(F)F)c(-c3nccs3)c(=O)oc2c1
InChIInChI=1S/C17H15F3N2O2S/c1-3-22(4-2)10-5-6-11-12(9-10)24-16(23)13(14(11)17(18,19)20)15-21-7-8-25-15/h5-9H,3-4H2,1-2H3
InChIKeyLVCNOXWTHLKHBO-UHFFFAOYSA-N
XLogP4.78
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-(Diethylamino)-3-(2-methyl-1,3-thiazol-4-yl)-2H-chromen-2-one
CID 389235
7-Diethylamino-3-[4-(4-methoxy-phenyl)-thiazol-2-yl]-chromen-2-one
CID 1973785
7-Diethylamino-3-[4-(2-oxo-2H-chromen-3-yl)-thiazol-2-yl]-chromen-2-one
CID 12005682
7-(diethylamino)-3-(4-phenyl-1,3-thiazol-2-yl)-2H-chromen-2-one
CID 1831259
7-(diethylamino)-3-(4-methyl-1,3-thiazol-2-yl)-2H-chromen-2-one
CID 2313447
Ethyl 2-[7-(diethylamino)-2-oxochromen-3-yl]-1,3-thiazole-4-carboxylate
CID 10761806
7-(diethylamino)-3-{2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl}-2H-chromen-2-one
CID 389243
Methyl 2-[2-[7-(diethylamino)-2-oxochromen-3-yl]-1,3-thiazol-4-yl]acetate
CID 101152219
N,N-diethyl-2-imino-3-(1,3-thiazol-2-yl)-4-(trifluoromethyl)chromen-7-amine
CID 134867971
3-(1,3-Thiazol-2-yl)-4-(trifluoromethyl)chromen-2-one
CID 134912142
3-(2-(2-Ethylpyridin-4-yl)thiazol-4-yl)-6-fluoro-2hchromen-2-one
CID 166175216
6-Fluoro-3-(2-(2-propylpyridin-4-yl)thiazol-4-yl)-2hchromen-2-one
CID 166175237

Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-3-(1,3-thiazol-2-yl)-4-(trifluoromethyl)chromen-2-one?
The IUPAC name of 7-(diethylamino)-3-(1,3-thiazol-2-yl)-4-(trifluoromethyl)chromen-2-one (CID 134911772) is 7-(diethylamino)-3-(1,3-thiazol-2-yl)-4-(trifluoromethyl)chromen-2-one.
What is the SMILES notation for 7-(diethylamino)-3-(1,3-thiazol-2-yl)-4-(trifluoromethyl)chromen-2-one?
The canonical SMILES for 7-(diethylamino)-3-(1,3-thiazol-2-yl)-4-(trifluoromethyl)chromen-2-one is CCN(CC)c1ccc2c(C(F)(F)F)c(-c3nccs3)c(=O)oc2c1.
What is the InChIKey of 7-(diethylamino)-3-(1,3-thiazol-2-yl)-4-(trifluoromethyl)chromen-2-one?
The InChIKey is LVCNOXWTHLKHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2S/c1-3-22(4-2)10-5-6-11-12(9-10)24-16(23)13(14(11)17(18,19)20)15-21-7-8-25-15/h5-9H,3-4H2,1-2H3.
What are the key properties of 7-(diethylamino)-3-(1,3-thiazol-2-yl)-4-(trifluoromethyl)chromen-2-one?
7-(diethylamino)-3-(1,3-thiazol-2-yl)-4-(trifluoromethyl)chromen-2-one has a molecular weight of 368.38 g/mol, XLogP of 4.78, 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)-4-(trifluoromethyl)chromen-2-one is sourced from PubChem (CID 134911772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).