(2-phenyl-1,3-thiazol-4-yl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate

C20H15NO4S — CID 4856471

IUPAC(2-phenyl-1,3-thiazol-4-yl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate
SMILESO=C(Cc1coc2cc(O)ccc12)OCc1csc(-c2ccccc2)n1
InChIInChI=1S/C20H15NO4S/c22-16-6-7-17-14(10-24-18(17)9-16)8-19(23)25-11-15-12-26-20(21-15)13-4-2-1-3-5-13/h1-7,9-10,12,22H,8,11H2
InChIKeyXBXXUMYOQWCSEZ-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.55
Rot. Bonds5

About (2-phenyl-1,3-thiazol-4-yl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate

(2-phenyl-1,3-thiazol-4-yl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate (PubChem CID 4856471) has the molecular formula C20H15NO4S and a molecular weight of 365.41 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-4-yl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-4-yl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate
PubChem CID4856471
Molecular FormulaC20H15NO4S
Molecular Weight365.41 g/mol
Exact Mass365.07
IUPAC Name(2-phenyl-1,3-thiazol-4-yl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate
SMILESO=C(Cc1coc2cc(O)ccc12)OCc1csc(-c2ccccc2)n1
InChIInChI=1S/C20H15NO4S/c22-16-6-7-17-14(10-24-18(17)9-16)8-19(23)25-11-15-12-26-20(21-15)13-4-2-1-3-5-13/h1-7,9-10,12,22H,8,11H2
InChIKeyXBXXUMYOQWCSEZ-UHFFFAOYSA-N
XLogP4.55
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-phenylphenyl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7415600
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8850024
[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7902634
imidazo[1,2-a]pyridin-2-ylmethyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7250978
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
CID 32743449
2-phenoxyethyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7414644
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-phenylacetate
CID 55319347
(2-phenyl-1,3-thiazol-4-yl)methyl 2-(3-fluoro-4-methoxyphenyl)acetate
CID 46609834
(2-anilino-2-oxoethyl) 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7807183
(2-phenyl-1,3-thiazol-4-yl)methyl anthracene-9-carboxylate
CID 7786495
(2-phenyl-1,3-thiazol-4-yl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3907572
(2-phenyl-1,3-thiazol-4-yl)methyl 2-[bromo(triphenyl)-λ5-phosphanyl]acetate
CID 164942759

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate?
The IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate (CID 4856471) is (2-phenyl-1,3-thiazol-4-yl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate.
What is the SMILES notation for (2-phenyl-1,3-thiazol-4-yl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate?
The canonical SMILES for (2-phenyl-1,3-thiazol-4-yl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate is O=C(Cc1coc2cc(O)ccc12)OCc1csc(-c2ccccc2)n1.
What is the InChIKey of (2-phenyl-1,3-thiazol-4-yl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate?
The InChIKey is XBXXUMYOQWCSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO4S/c22-16-6-7-17-14(10-24-18(17)9-16)8-19(23)25-11-15-12-26-20(21-15)13-4-2-1-3-5-13/h1-7,9-10,12,22H,8,11H2.
What are the key properties of (2-phenyl-1,3-thiazol-4-yl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate?
(2-phenyl-1,3-thiazol-4-yl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate has a molecular weight of 365.41 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-thiazol-4-yl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 4856471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).