[4-(4-chloro-1,3-thiazol-5-yl)phenyl] acetate

C11H8ClNO2S — CID 142572982

IUPAC[4-(4-chloro-1,3-thiazol-5-yl)phenyl] acetate
SMILESCC(=O)Oc1ccc(-c2scnc2Cl)cc1
InChIInChI=1S/C11H8ClNO2S/c1-7(14)15-9-4-2-8(3-5-9)10-11(12)13-6-16-10/h2-6H,1H3
InChIKeyMXDNPADVZQICNM-UHFFFAOYSA-N
MW253.71 g/mol
LogP3.39
Rot. Bonds2

About [4-(4-chloro-1,3-thiazol-5-yl)phenyl] acetate

[4-(4-chloro-1,3-thiazol-5-yl)phenyl] acetate (PubChem CID 142572982) has the molecular formula C11H8ClNO2S and a molecular weight of 253.71 g/mol. Its IUPAC name is [4-(4-chloro-1,3-thiazol-5-yl)phenyl] acetate.

Molecular Properties

Compound Name[4-(4-chloro-1,3-thiazol-5-yl)phenyl] acetate
PubChem CID142572982
Molecular FormulaC11H8ClNO2S
Molecular Weight253.71 g/mol
Exact Mass253.00
IUPAC Name[4-(4-chloro-1,3-thiazol-5-yl)phenyl] acetate
SMILESCC(=O)Oc1ccc(-c2scnc2Cl)cc1
InChIInChI=1S/C11H8ClNO2S/c1-7(14)15-9-4-2-8(3-5-9)10-11(12)13-6-16-10/h2-6H,1H3
InChIKeyMXDNPADVZQICNM-UHFFFAOYSA-N
XLogP3.39
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-(4-chloro-1,3-thiazol-5-yl)phenyl] acetate 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

(4-chlorophenyl) acetate
CID 13410
[4-[3-(4-methylphenyl)-5-sulfanylidenedithiol-4-yl]phenyl] acetate
CID 59431237
(4-thiophen-2-ylphenyl) acetate
CID 18387761
(4-methylphenyl) acetate;zinc
CID 159589232
[4-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl] acetate
CID 973042
(4-carbonochloridoylphenyl) acetate
CID 2756254
[4-(4-methylsulfanylphenyl)phenyl] acetate
CID 143021486
[4-(3,4-dichlorobenzoyl)phenyl] acetate
CID 24723041
[4-[5-[3,5-bis[5-(4-acetyloxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl] acetate
CID 118041982
[4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl] acetate
CID 137047911
(4-acetyloxyphenyl) acetate;ethanamine
CID 160806185
[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate
CID 144750250

Frequently Asked Questions

What is the IUPAC name of [4-(4-chloro-1,3-thiazol-5-yl)phenyl] acetate?
The IUPAC name of [4-(4-chloro-1,3-thiazol-5-yl)phenyl] acetate (CID 142572982) is [4-(4-chloro-1,3-thiazol-5-yl)phenyl] acetate.
What is the SMILES notation for [4-(4-chloro-1,3-thiazol-5-yl)phenyl] acetate?
The canonical SMILES for [4-(4-chloro-1,3-thiazol-5-yl)phenyl] acetate is CC(=O)Oc1ccc(-c2scnc2Cl)cc1.
What is the InChIKey of [4-(4-chloro-1,3-thiazol-5-yl)phenyl] acetate?
The InChIKey is MXDNPADVZQICNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO2S/c1-7(14)15-9-4-2-8(3-5-9)10-11(12)13-6-16-10/h2-6H,1H3.
What are the key properties of [4-(4-chloro-1,3-thiazol-5-yl)phenyl] acetate?
[4-(4-chloro-1,3-thiazol-5-yl)phenyl] acetate has a molecular weight of 253.71 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chloro-1,3-thiazol-5-yl)phenyl] acetate is sourced from PubChem (CID 142572982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).