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

C18H12ClNO3S — CID 166357044

IUPAC(2-chloro-1,3-thiazol-4-yl)methyl 2-benzo[e][1]benzofuran-2-ylacetate
SMILESO=C(Cc1cc2c(ccc3ccccc32)o1)OCc1csc(Cl)n1
InChIInChI=1S/C18H12ClNO3S/c19-18-20-12(10-24-18)9-22-17(21)8-13-7-15-14-4-2-1-3-11(14)5-6-16(15)23-13/h1-7,10H,8-9H2
InChIKeyCULOKQLKANZCKN-UHFFFAOYSA-N
MW357.82 g/mol
LogP4.98
Rot. Bonds4

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

(2-chloro-1,3-thiazol-4-yl)methyl 2-benzo[e][1]benzofuran-2-ylacetate (PubChem CID 166357044) has the molecular formula C18H12ClNO3S and a molecular weight of 357.82 g/mol. Its IUPAC name is (2-chloro-1,3-thiazol-4-yl)methyl 2-benzo[e][1]benzofuran-2-ylacetate.

Molecular Properties

Compound Name(2-chloro-1,3-thiazol-4-yl)methyl 2-benzo[e][1]benzofuran-2-ylacetate
PubChem CID166357044
Molecular FormulaC18H12ClNO3S
Molecular Weight357.82 g/mol
Exact Mass357.02
IUPAC Name(2-chloro-1,3-thiazol-4-yl)methyl 2-benzo[e][1]benzofuran-2-ylacetate
SMILESO=C(Cc1cc2c(ccc3ccccc32)o1)OCc1csc(Cl)n1
InChIInChI=1S/C18H12ClNO3S/c19-18-20-12(10-24-18)9-22-17(21)8-13-7-15-14-4-2-1-3-11(14)5-6-16(15)23-13/h1-7,10H,8-9H2
InChIKeyCULOKQLKANZCKN-UHFFFAOYSA-N
XLogP4.98
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.82
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-chloro-1,3-thiazol-4-yl)methyl 2-benzo[e][1]benzofuran-2-ylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-acetamido-1,3-thiazol-4-yl)methyl 2-benzo[e][1]benzofuran-2-ylacetate
CID 166181481
[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl 2-benzo[e][1]benzofuran-2-ylacetate
CID 166357080
[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
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-benzo[e][1]benzofuran-1-ylacetate
CID 31274979
(3-oxobenzo[f]chromen-1-yl)methyl 2-thiophen-3-ylacetate
CID 2550404
ethyl 3-[[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetyl]oxymethyl]-1-benzofuran-2-carboxylate
CID 16560657
(2-phenyl-1,3-thiazol-4-yl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 4856471
(5-phenyl-1,2-oxazol-3-yl)methyl 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate
CID 16601599
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-benzamidoacetate
CID 7783403
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenyl)acetate
CID 8011882

Frequently Asked Questions

What is the IUPAC name of (2-chloro-1,3-thiazol-4-yl)methyl 2-benzo[e][1]benzofuran-2-ylacetate?
The IUPAC name of (2-chloro-1,3-thiazol-4-yl)methyl 2-benzo[e][1]benzofuran-2-ylacetate (CID 166357044) is (2-chloro-1,3-thiazol-4-yl)methyl 2-benzo[e][1]benzofuran-2-ylacetate.
What is the SMILES notation for (2-chloro-1,3-thiazol-4-yl)methyl 2-benzo[e][1]benzofuran-2-ylacetate?
The canonical SMILES for (2-chloro-1,3-thiazol-4-yl)methyl 2-benzo[e][1]benzofuran-2-ylacetate is O=C(Cc1cc2c(ccc3ccccc32)o1)OCc1csc(Cl)n1.
What is the InChIKey of (2-chloro-1,3-thiazol-4-yl)methyl 2-benzo[e][1]benzofuran-2-ylacetate?
The InChIKey is CULOKQLKANZCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClNO3S/c19-18-20-12(10-24-18)9-22-17(21)8-13-7-15-14-4-2-1-3-11(14)5-6-16(15)23-13/h1-7,10H,8-9H2.
What are the key properties of (2-chloro-1,3-thiazol-4-yl)methyl 2-benzo[e][1]benzofuran-2-ylacetate?
(2-chloro-1,3-thiazol-4-yl)methyl 2-benzo[e][1]benzofuran-2-ylacetate has a molecular weight of 357.82 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-1,3-thiazol-4-yl)methyl 2-benzo[e][1]benzofuran-2-ylacetate is sourced from PubChem (CID 166357044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).