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

C15H10F3NO3S — CID 623447

IUPAC7-methoxy-3-(2-methyl-1,3-thiazol-4-yl)-2-(trifluoromethyl)chromen-4-one
SMILESCOc1ccc2c(=O)c(-c3csc(C)n3)c(C(F)(F)F)oc2c1
InChIInChI=1S/C15H10F3NO3S/c1-7-19-10(6-23-7)12-13(20)9-4-3-8(21-2)5-11(9)22-14(12)15(16,17)18/h3-6H,1-2H3
InChIKeyGOJMWEOORYCURQ-UHFFFAOYSA-N
MW341.31 g/mol
LogP4.25
Rot. Bonds2

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

7-methoxy-3-(2-methyl-1,3-thiazol-4-yl)-2-(trifluoromethyl)chromen-4-one (PubChem CID 623447) has the molecular formula C15H10F3NO3S and a molecular weight of 341.31 g/mol. Its IUPAC name is 7-methoxy-3-(2-methyl-1,3-thiazol-4-yl)-2-(trifluoromethyl)chromen-4-one.

Molecular Properties

Compound Name7-methoxy-3-(2-methyl-1,3-thiazol-4-yl)-2-(trifluoromethyl)chromen-4-one
PubChem CID623447
Molecular FormulaC15H10F3NO3S
Molecular Weight341.31 g/mol
Exact Mass341.03
IUPAC Name7-methoxy-3-(2-methyl-1,3-thiazol-4-yl)-2-(trifluoromethyl)chromen-4-one
SMILESCOc1ccc2c(=O)c(-c3csc(C)n3)c(C(F)(F)F)oc2c1
InChIInChI=1S/C15H10F3NO3S/c1-7-19-10(6-23-7)12-13(20)9-4-3-8(21-2)5-11(9)22-14(12)15(16,17)18/h3-6H,1-2H3
InChIKeyGOJMWEOORYCURQ-UHFFFAOYSA-N
XLogP4.25
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-(2-methyl-1,3-thiazol-4-yl)-2-(trifluoromethyl)chromen-4-one?
The IUPAC name of 7-methoxy-3-(2-methyl-1,3-thiazol-4-yl)-2-(trifluoromethyl)chromen-4-one (CID 623447) is 7-methoxy-3-(2-methyl-1,3-thiazol-4-yl)-2-(trifluoromethyl)chromen-4-one.
What is the SMILES notation for 7-methoxy-3-(2-methyl-1,3-thiazol-4-yl)-2-(trifluoromethyl)chromen-4-one?
The canonical SMILES for 7-methoxy-3-(2-methyl-1,3-thiazol-4-yl)-2-(trifluoromethyl)chromen-4-one is COc1ccc2c(=O)c(-c3csc(C)n3)c(C(F)(F)F)oc2c1.
What is the InChIKey of 7-methoxy-3-(2-methyl-1,3-thiazol-4-yl)-2-(trifluoromethyl)chromen-4-one?
The InChIKey is GOJMWEOORYCURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NO3S/c1-7-19-10(6-23-7)12-13(20)9-4-3-8(21-2)5-11(9)22-14(12)15(16,17)18/h3-6H,1-2H3.
What are the key properties of 7-methoxy-3-(2-methyl-1,3-thiazol-4-yl)-2-(trifluoromethyl)chromen-4-one?
7-methoxy-3-(2-methyl-1,3-thiazol-4-yl)-2-(trifluoromethyl)chromen-4-one has a molecular weight of 341.31 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-(2-methyl-1,3-thiazol-4-yl)-2-(trifluoromethyl)chromen-4-one is sourced from PubChem (CID 623447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).