[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenyl)acetate

C19H16ClNO3S — CID 8011882

IUPAC[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCc2csc(-c3ccccc3Cl)n2)cc1
InChIInChI=1S/C19H16ClNO3S/c1-23-15-8-6-13(7-9-15)10-18(22)24-11-14-12-25-19(21-14)16-4-2-3-5-17(16)20/h2-9,12H,10-11H2,1H3
InChIKeyUMINEWSOZGAZIR-UHFFFAOYSA-N
MW373.86 g/mol
LogP4.76
Rot. Bonds6

About [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenyl)acetate

[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenyl)acetate (PubChem CID 8011882) has the molecular formula C19H16ClNO3S and a molecular weight of 373.86 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenyl)acetate
PubChem CID8011882
Molecular FormulaC19H16ClNO3S
Molecular Weight373.86 g/mol
Exact Mass373.05
IUPAC Name[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCc2csc(-c3ccccc3Cl)n2)cc1
InChIInChI=1S/C19H16ClNO3S/c1-23-15-8-6-13(7-9-15)10-18(22)24-11-14-12-25-19(21-14)16-4-2-3-5-17(16)20/h2-9,12H,10-11H2,1H3
InChIKeyUMINEWSOZGAZIR-UHFFFAOYSA-N
XLogP4.76
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.86
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate
CID 167780209
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(3,4-dimethylphenyl)acetate
CID 8527252
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methoxyacetamide
CID 51279381
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-phenylacetate
CID 55319347
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-benzamidoacetate
CID 7783403
prop-2-enyl 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate
CID 134055357
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222707
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenoxy)ethyl]-N-methylacetamide
CID 31285188
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(1-phenylpyrazol-4-yl)acetate
CID 32933840
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(4-chlorophenoxy)acetate
CID 7750797
(4-acetylphenyl) 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate
CID 9191780
(2-phenyl-1,3-thiazol-4-yl)methyl 2-(3-fluoro-4-methoxyphenyl)acetate
CID 46609834

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenyl)acetate?
The IUPAC name of [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenyl)acetate (CID 8011882) is [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenyl)acetate?
The canonical SMILES for [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenyl)acetate is COc1ccc(CC(=O)OCc2csc(-c3ccccc3Cl)n2)cc1.
What is the InChIKey of [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenyl)acetate?
The InChIKey is UMINEWSOZGAZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3S/c1-23-15-8-6-13(7-9-15)10-18(22)24-11-14-12-25-19(21-14)16-4-2-3-5-17(16)20/h2-9,12H,10-11H2,1H3.
What are the key properties of [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenyl)acetate?
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenyl)acetate has a molecular weight of 373.86 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 8011882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).