2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-3-hydroxychromen-4-one

C20H15NO4S — CID 15710672

IUPAC2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-3-hydroxychromen-4-one
SMILESCCOc1ccc(-c2nc(-c3oc4ccccc4c(=O)c3O)cs2)cc1
InChIInChI=1S/C20H15NO4S/c1-2-24-13-9-7-12(8-10-13)20-21-15(11-26-20)19-18(23)17(22)14-5-3-4-6-16(14)25-19/h3-11,23H,2H2,1H3
InChIKeyNRQAANDGLYYNRB-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.69
Rot. Bonds4

About 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-3-hydroxychromen-4-one

2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-3-hydroxychromen-4-one (PubChem CID 15710672) has the molecular formula C20H15NO4S and a molecular weight of 365.41 g/mol. Its IUPAC name is 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-3-hydroxychromen-4-one.

Molecular Properties

Compound Name2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-3-hydroxychromen-4-one
PubChem CID15710672
Molecular FormulaC20H15NO4S
Molecular Weight365.41 g/mol
Exact Mass365.07
IUPAC Name2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-3-hydroxychromen-4-one
SMILESCCOc1ccc(-c2nc(-c3oc4ccccc4c(=O)c3O)cs2)cc1
InChIInChI=1S/C20H15NO4S/c1-2-24-13-9-7-12(8-10-13)20-21-15(11-26-20)19-18(23)17(22)14-5-3-4-6-16(14)25-19/h3-11,23H,2H2,1H3
InChIKeyNRQAANDGLYYNRB-UHFFFAOYSA-N
XLogP4.69
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-3-hydroxychromen-4-one?
The IUPAC name of 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-3-hydroxychromen-4-one (CID 15710672) is 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-3-hydroxychromen-4-one.
What is the SMILES notation for 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-3-hydroxychromen-4-one?
The canonical SMILES for 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-3-hydroxychromen-4-one is CCOc1ccc(-c2nc(-c3oc4ccccc4c(=O)c3O)cs2)cc1.
What is the InChIKey of 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-3-hydroxychromen-4-one?
The InChIKey is NRQAANDGLYYNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO4S/c1-2-24-13-9-7-12(8-10-13)20-21-15(11-26-20)19-18(23)17(22)14-5-3-4-6-16(14)25-19/h3-11,23H,2H2,1H3.
What are the key properties of 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-3-hydroxychromen-4-one?
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-3-hydroxychromen-4-one has a molecular weight of 365.41 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-3-hydroxychromen-4-one is sourced from PubChem (CID 15710672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).