(2-acetamido-1,3-thiazol-4-yl)methyl 2-benzo[e][1]benzofuran-2-ylacetate

C20H16N2O4S — CID 166181481

IUPAC(2-acetamido-1,3-thiazol-4-yl)methyl 2-benzo[e][1]benzofuran-2-ylacetate
SMILESCC(=O)Nc1nc(COC(=O)Cc2cc3c(ccc4ccccc43)o2)cs1
InChIInChI=1S/C20H16N2O4S/c1-12(23)21-20-22-14(11-27-20)10-25-19(24)9-15-8-17-16-5-3-2-4-13(16)6-7-18(17)26-15/h2-8,11H,9-10H2,1H3,(H,21,22,23)
InChIKeyXHSVGLCXHYQJCL-UHFFFAOYSA-N
MW380.43 g/mol
LogP4.29
Rot. Bonds5

About (2-acetamido-1,3-thiazol-4-yl)methyl 2-benzo[e][1]benzofuran-2-ylacetate

(2-acetamido-1,3-thiazol-4-yl)methyl 2-benzo[e][1]benzofuran-2-ylacetate (PubChem CID 166181481) has the molecular formula C20H16N2O4S and a molecular weight of 380.43 g/mol. Its IUPAC name is (2-acetamido-1,3-thiazol-4-yl)methyl 2-benzo[e][1]benzofuran-2-ylacetate.

Molecular Properties

Compound Name(2-acetamido-1,3-thiazol-4-yl)methyl 2-benzo[e][1]benzofuran-2-ylacetate
PubChem CID166181481
Molecular FormulaC20H16N2O4S
Molecular Weight380.43 g/mol
Exact Mass380.08
IUPAC Name(2-acetamido-1,3-thiazol-4-yl)methyl 2-benzo[e][1]benzofuran-2-ylacetate
SMILESCC(=O)Nc1nc(COC(=O)Cc2cc3c(ccc4ccccc43)o2)cs1
InChIInChI=1S/C20H16N2O4S/c1-12(23)21-20-22-14(11-27-20)10-25-19(24)9-15-8-17-16-5-3-2-4-13(16)6-7-18(17)26-15/h2-8,11H,9-10H2,1H3,(H,21,22,23)
InChIKeyXHSVGLCXHYQJCL-UHFFFAOYSA-N
XLogP4.29
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-chloro-1,3-thiazol-4-yl)methyl 2-benzo[e][1]benzofuran-2-ylacetate
CID 166357044
[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl 2-benzo[e][1]benzofuran-2-ylacetate
CID 166357080
(2-acetamido-1,3-thiazol-4-yl)methyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 9396693
[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl 2-benzo[e][1]benzofuran-2-ylacetate
CID 166357182
(5-phenyl-1,2,4-oxadiazol-3-yl)methyl 2-benzo[e][1]benzofuran-2-ylacetate
CID 166357021
4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl 2-benzo[e][1]benzofuran-2-ylacetate
CID 166357139
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
(2-acetamido-1,3-thiazol-4-yl)methyl 2-(4-chloro-3-methylphenoxy)acetate
CID 9404250
N-[4-[(2-fluorophenoxy)methyl]-1,3-thiazol-2-yl]acetamide
CID 47137996
(2-acetamido-1,3-thiazol-4-yl)methyl 1-hydroxycyclopentane-1-carboxylate
CID 55701341
(2-phenyl-1,3-thiazol-4-yl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 4856471
N-[4-[(7-hydroxy-4-methyl-2-oxochromen-3-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 87181337

Frequently Asked Questions

What is the IUPAC name of (2-acetamido-1,3-thiazol-4-yl)methyl 2-benzo[e][1]benzofuran-2-ylacetate?
The IUPAC name of (2-acetamido-1,3-thiazol-4-yl)methyl 2-benzo[e][1]benzofuran-2-ylacetate (CID 166181481) is (2-acetamido-1,3-thiazol-4-yl)methyl 2-benzo[e][1]benzofuran-2-ylacetate.
What is the SMILES notation for (2-acetamido-1,3-thiazol-4-yl)methyl 2-benzo[e][1]benzofuran-2-ylacetate?
The canonical SMILES for (2-acetamido-1,3-thiazol-4-yl)methyl 2-benzo[e][1]benzofuran-2-ylacetate is CC(=O)Nc1nc(COC(=O)Cc2cc3c(ccc4ccccc43)o2)cs1.
What is the InChIKey of (2-acetamido-1,3-thiazol-4-yl)methyl 2-benzo[e][1]benzofuran-2-ylacetate?
The InChIKey is XHSVGLCXHYQJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4S/c1-12(23)21-20-22-14(11-27-20)10-25-19(24)9-15-8-17-16-5-3-2-4-13(16)6-7-18(17)26-15/h2-8,11H,9-10H2,1H3,(H,21,22,23).
What are the key properties of (2-acetamido-1,3-thiazol-4-yl)methyl 2-benzo[e][1]benzofuran-2-ylacetate?
(2-acetamido-1,3-thiazol-4-yl)methyl 2-benzo[e][1]benzofuran-2-ylacetate has a molecular weight of 380.43 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetamido-1,3-thiazol-4-yl)methyl 2-benzo[e][1]benzofuran-2-ylacetate is sourced from PubChem (CID 166181481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).