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

C19H15NO3S2 — CID 8850024

IUPAC(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-(6-methyl-1-benzofuran-3-yl)acetate
SMILESCc1ccc2c(CC(=O)OCc3csc(-c4ccsc4)n3)coc2c1
InChIInChI=1S/C19H15NO3S2/c1-12-2-3-16-14(8-22-17(16)6-12)7-18(21)23-9-15-11-25-19(20-15)13-4-5-24-10-13/h2-6,8,10-11H,7,9H2,1H3
InChIKeyAHQGXDOUJANCOL-UHFFFAOYSA-N
MW369.47 g/mol
LogP5.21
Rot. Bonds5

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

(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-(6-methyl-1-benzofuran-3-yl)acetate (PubChem CID 8850024) has the molecular formula C19H15NO3S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-(6-methyl-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-(6-methyl-1-benzofuran-3-yl)acetate
PubChem CID8850024
Molecular FormulaC19H15NO3S2
Molecular Weight369.47 g/mol
Exact Mass369.05
IUPAC Name(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-(6-methyl-1-benzofuran-3-yl)acetate
SMILESCc1ccc2c(CC(=O)OCc3csc(-c4ccsc4)n3)coc2c1
InChIInChI=1S/C19H15NO3S2/c1-12-2-3-16-14(8-22-17(16)6-12)7-18(21)23-9-15-11-25-19(20-15)13-4-5-24-10-13/h2-6,8,10-11H,7,9H2,1H3
InChIKeyAHQGXDOUJANCOL-UHFFFAOYSA-N
XLogP5.21
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.47
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7902634
(3-methyl-1,2-oxazol-5-yl)methyl 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 40767085
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
CID 32743449
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate
CID 55665345
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-phenylacetate
CID 55319347
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 4-(5-methylthiophen-2-yl)-4-oxobutanoate
CID 8941213
3-(6-methyl-2-pyridinyl)propyl 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 86911953
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-acetamidoacetate
CID 75412679
(2-amino-2-oxoethyl) 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9129066
methyl 4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxymethyl]benzoate
CID 2418998
[1-[5-(trifluoromethyl)-2-pyridinyl]triazol-4-yl]methyl 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 86881229

Frequently Asked Questions

What is the IUPAC name of (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-(6-methyl-1-benzofuran-3-yl)acetate?
The IUPAC name of (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-(6-methyl-1-benzofuran-3-yl)acetate (CID 8850024) is (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-(6-methyl-1-benzofuran-3-yl)acetate.
What is the SMILES notation for (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-(6-methyl-1-benzofuran-3-yl)acetate?
The canonical SMILES for (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-(6-methyl-1-benzofuran-3-yl)acetate is Cc1ccc2c(CC(=O)OCc3csc(-c4ccsc4)n3)coc2c1.
What is the InChIKey of (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-(6-methyl-1-benzofuran-3-yl)acetate?
The InChIKey is AHQGXDOUJANCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3S2/c1-12-2-3-16-14(8-22-17(16)6-12)7-18(21)23-9-15-11-25-19(20-15)13-4-5-24-10-13/h2-6,8,10-11H,7,9H2,1H3.
What are the key properties of (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-(6-methyl-1-benzofuran-3-yl)acetate?
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-(6-methyl-1-benzofuran-3-yl)acetate has a molecular weight of 369.47 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-(6-methyl-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 8850024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).