[4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl] acetate

C17H13NO3S — CID 137047911

IUPAC[4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl] acetate
SMILESCC(=O)Oc1ccc(-c2csc(-c3ccc(O)cc3)n2)cc1
InChIInChI=1S/C17H13NO3S/c1-11(19)21-15-8-4-12(5-9-15)16-10-22-17(18-16)13-2-6-14(20)7-3-13/h2-10,20H,1H3
InChIKeyWNCIVEFYUWJONN-UHFFFAOYSA-N
MW311.36 g/mol
LogP4.11
Rot. Bonds3

About [4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl] acetate

[4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl] acetate (PubChem CID 137047911) has the molecular formula C17H13NO3S and a molecular weight of 311.36 g/mol. Its IUPAC name is [4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl] acetate.

Molecular Properties

Compound Name[4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl] acetate
PubChem CID137047911
Molecular FormulaC17H13NO3S
Molecular Weight311.36 g/mol
Exact Mass311.06
IUPAC Name[4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl] acetate
SMILESCC(=O)Oc1ccc(-c2csc(-c3ccc(O)cc3)n2)cc1
InChIInChI=1S/C17H13NO3S/c1-11(19)21-15-8-4-12(5-9-15)16-10-22-17(18-16)13-2-6-14(20)7-3-13/h2-10,20H,1H3
InChIKeyWNCIVEFYUWJONN-UHFFFAOYSA-N
XLogP4.11
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenol
CID 1473815
4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzene-1,2-diol
CID 170172156
4-[4-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]phenol
CID 136969519
2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide
CID 171114672
phenyl N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]carbamate
CID 108738413
[4-(4-acetyloxyphenyl)phenyl] 4-hydroxybenzoate
CID 143452404
2-(4-methoxyphenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 2978424
methyl 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzoate
CID 18613878
[4-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl] acetate
CID 973042
[4-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate
CID 108739741
N-[3-fluoro-4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 135569925
4-[2-[4-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]phenol
CID 129193988

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl] acetate?
The IUPAC name of [4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl] acetate (CID 137047911) is [4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl] acetate.
What is the SMILES notation for [4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl] acetate?
The canonical SMILES for [4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl] acetate is CC(=O)Oc1ccc(-c2csc(-c3ccc(O)cc3)n2)cc1.
What is the InChIKey of [4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl] acetate?
The InChIKey is WNCIVEFYUWJONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3S/c1-11(19)21-15-8-4-12(5-9-15)16-10-22-17(18-16)13-2-6-14(20)7-3-13/h2-10,20H,1H3.
What are the key properties of [4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl] acetate?
[4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl] acetate has a molecular weight of 311.36 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl] acetate is sourced from PubChem (CID 137047911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).