prop-2-enyl 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate

C14H12ClNO2S — CID 134055357

IUPACprop-2-enyl 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate
SMILESC=CCOC(=O)Cc1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C14H12ClNO2S/c1-2-7-18-13(17)8-10-9-19-14(16-10)11-5-3-4-6-12(11)15/h2-6,9H,1,7-8H2
InChIKeyKWZOTHDTETVINL-UHFFFAOYSA-N
MW293.78 g/mol
LogP3.74
Rot. Bonds5

About prop-2-enyl 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate

prop-2-enyl 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate (PubChem CID 134055357) has the molecular formula C14H12ClNO2S and a molecular weight of 293.78 g/mol. Its IUPAC name is prop-2-enyl 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameprop-2-enyl 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate
PubChem CID134055357
Molecular FormulaC14H12ClNO2S
Molecular Weight293.78 g/mol
Exact Mass293.03
IUPAC Nameprop-2-enyl 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate
SMILESC=CCOC(=O)Cc1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C14H12ClNO2S/c1-2-7-18-13(17)8-10-9-19-14(16-10)11-5-3-4-6-12(11)15/h2-6,9H,1,7-8H2
InChIKeyKWZOTHDTETVINL-UHFFFAOYSA-N
XLogP3.74
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methoxyacetamide
CID 51279381
(4-acetylphenyl) 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate
CID 9191780
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenyl)acetate
CID 8011882
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N,N-bis(cyanomethyl)acetamide
CID 52827861
ethyl 2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 78908719
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
CID 39084510
N-(3-aminopropyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 119406639
N-(2-amino-2-methylpropyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119627873
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate
CID 167780209
N-(4-aminocyclohexyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 119476448
2-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 9399292
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 7667740

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of prop-2-enyl 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate (CID 134055357) is prop-2-enyl 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for prop-2-enyl 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for prop-2-enyl 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate is C=CCOC(=O)Cc1csc(-c2ccccc2Cl)n1.
What is the InChIKey of prop-2-enyl 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate?
The InChIKey is KWZOTHDTETVINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2S/c1-2-7-18-13(17)8-10-9-19-14(16-10)11-5-3-4-6-12(11)15/h2-6,9H,1,7-8H2.
What are the key properties of prop-2-enyl 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate?
prop-2-enyl 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate has a molecular weight of 293.78 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 134055357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).