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

C16H12F3NO3S — CID 2431931

IUPAC7-ethoxy-3-(2-methyl-1,3-thiazol-4-yl)-2-(trifluoromethyl)chromen-4-one
SMILESCCOc1ccc2c(=O)c(-c3csc(C)n3)c(C(F)(F)F)oc2c1
InChIInChI=1S/C16H12F3NO3S/c1-3-22-9-4-5-10-12(6-9)23-15(16(17,18)19)13(14(10)21)11-7-24-8(2)20-11/h4-7H,3H2,1-2H3
InChIKeyXFEXWPCGALXBMB-UHFFFAOYSA-N
MW355.34 g/mol
LogP4.64
Rot. Bonds3

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

7-ethoxy-3-(2-methyl-1,3-thiazol-4-yl)-2-(trifluoromethyl)chromen-4-one (PubChem CID 2431931) has the molecular formula C16H12F3NO3S and a molecular weight of 355.34 g/mol. Its IUPAC name is 7-ethoxy-3-(2-methyl-1,3-thiazol-4-yl)-2-(trifluoromethyl)chromen-4-one.

Molecular Properties

Compound Name7-ethoxy-3-(2-methyl-1,3-thiazol-4-yl)-2-(trifluoromethyl)chromen-4-one
PubChem CID2431931
Molecular FormulaC16H12F3NO3S
Molecular Weight355.34 g/mol
Exact Mass355.05
IUPAC Name7-ethoxy-3-(2-methyl-1,3-thiazol-4-yl)-2-(trifluoromethyl)chromen-4-one
SMILESCCOc1ccc2c(=O)c(-c3csc(C)n3)c(C(F)(F)F)oc2c1
InChIInChI=1S/C16H12F3NO3S/c1-3-22-9-4-5-10-12(6-9)23-15(16(17,18)19)13(14(10)21)11-7-24-8(2)20-11/h4-7H,3H2,1-2H3
InChIKeyXFEXWPCGALXBMB-UHFFFAOYSA-N
XLogP4.64
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methylthiazol-2-yl)-4-oxo-6-propyl-4H-chromen-7-yl acetate
CID 740769
6-Ethyl-7-hydroxy-3-(4-methylthiazol-2-yl)-4H-chromen-4-one
CID 5392003
5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxo-4H-chromen-7-yl acetate
CID 912914
7-ethoxy-6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)-4H-chromen-4-one
CID 933735
3-(4-Methyl-2-thiazolyl)-5-methyl-7-hydroxychromone
CID 5310837
Cambridge id 6875303
CID 5734207
3-(4-Methyl-thiazol-2-yl)-7-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-chromen-4-one
CID 24867672
ethyl {[5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxo-4H-chromen-7-yl]oxy}acetate
CID 1082196
Acetic acid, 2-(6-hexyl-3-(2-methylthiazol-4-yl)-4-oxo-4H-1-benzopyran-7-yloxy)-, ethyl ester
CID 1858487
2-methyl-3-(4-methylthiazol-2-yl)-4-oxo-6-propyl-4H-chromen-7-yl acetate
CID 984073
{[3-(2-methyl-1,3-thiazol-4-yl)-4-oxo-4H-chromen-7-yl]oxy}acetic acid
CID 658119
7-Methoxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one
CID 658167

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-3-(2-methyl-1,3-thiazol-4-yl)-2-(trifluoromethyl)chromen-4-one?
The IUPAC name of 7-ethoxy-3-(2-methyl-1,3-thiazol-4-yl)-2-(trifluoromethyl)chromen-4-one (CID 2431931) is 7-ethoxy-3-(2-methyl-1,3-thiazol-4-yl)-2-(trifluoromethyl)chromen-4-one.
What is the SMILES notation for 7-ethoxy-3-(2-methyl-1,3-thiazol-4-yl)-2-(trifluoromethyl)chromen-4-one?
The canonical SMILES for 7-ethoxy-3-(2-methyl-1,3-thiazol-4-yl)-2-(trifluoromethyl)chromen-4-one is CCOc1ccc2c(=O)c(-c3csc(C)n3)c(C(F)(F)F)oc2c1.
What is the InChIKey of 7-ethoxy-3-(2-methyl-1,3-thiazol-4-yl)-2-(trifluoromethyl)chromen-4-one?
The InChIKey is XFEXWPCGALXBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO3S/c1-3-22-9-4-5-10-12(6-9)23-15(16(17,18)19)13(14(10)21)11-7-24-8(2)20-11/h4-7H,3H2,1-2H3.
What are the key properties of 7-ethoxy-3-(2-methyl-1,3-thiazol-4-yl)-2-(trifluoromethyl)chromen-4-one?
7-ethoxy-3-(2-methyl-1,3-thiazol-4-yl)-2-(trifluoromethyl)chromen-4-one has a molecular weight of 355.34 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-3-(2-methyl-1,3-thiazol-4-yl)-2-(trifluoromethyl)chromen-4-one is sourced from PubChem (CID 2431931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).