[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate

C24H23NO4S — CID 7902634

IUPAC[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
SMILESCOc1ccc2c(CC(=O)OCc3csc(-c4ccc(C(C)C)cc4)n3)coc2c1
InChIInChI=1S/C24H23NO4S/c1-15(2)16-4-6-17(7-5-16)24-25-19(14-30-24)13-29-23(26)10-18-12-28-22-11-20(27-3)8-9-21(18)22/h4-9,11-12,14-15H,10,13H2,1-3H3
InChIKeyLNYHHOPRMPOPAQ-UHFFFAOYSA-N
MW421.52 g/mol
LogP5.97
Rot. Bonds7

About [2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate

[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate (PubChem CID 7902634) has the molecular formula C24H23NO4S and a molecular weight of 421.52 g/mol. Its IUPAC name is [2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
PubChem CID7902634
Molecular FormulaC24H23NO4S
Molecular Weight421.52 g/mol
Exact Mass421.13
IUPAC Name[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
SMILESCOc1ccc2c(CC(=O)OCc3csc(-c4ccc(C(C)C)cc4)n3)coc2c1
InChIInChI=1S/C24H23NO4S/c1-15(2)16-4-6-17(7-5-16)24-25-19(14-30-24)13-29-23(26)10-18-12-28-22-11-20(27-3)8-9-21(18)22/h4-9,11-12,14-15H,10,13H2,1-3H3
InChIKeyLNYHHOPRMPOPAQ-UHFFFAOYSA-N
XLogP5.97
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.52
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate with MolForge

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Related Compounds

(2-phenyl-1,3-thiazol-4-yl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 4856471
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8850024
benzyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 8961126
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(3,4-dimethylphenyl)acetate
CID 8527252
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
CID 32743449
2-oxopropyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 55327046
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenoxy)propanoate
CID 46545324
1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]propan-2-one
CID 116890237
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7186993
(2,5-dimethylphenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7902091
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(4-chlorophenoxy)acetate
CID 7750797
[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 4-hydroxybenzoate
CID 7866808

Frequently Asked Questions

What is the IUPAC name of [2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The IUPAC name of [2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate (CID 7902634) is [2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate.
What is the SMILES notation for [2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The canonical SMILES for [2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate is COc1ccc2c(CC(=O)OCc3csc(-c4ccc(C(C)C)cc4)n3)coc2c1.
What is the InChIKey of [2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The InChIKey is LNYHHOPRMPOPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4S/c1-15(2)16-4-6-17(7-5-16)24-25-19(14-30-24)13-29-23(26)10-18-12-28-22-11-20(27-3)8-9-21(18)22/h4-9,11-12,14-15H,10,13H2,1-3H3.
What are the key properties of [2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate?
[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate has a molecular weight of 421.52 g/mol, XLogP of 5.97, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 7902634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).