2-[2-[2-(3-chloro-4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl]isoindole-1,3-dione

C23H13ClN2O3S — CID 166357818

IUPAC2-[2-[2-(3-chloro-4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccccc1-c1csc(-c2ccc(O)c(Cl)c2)n1
InChIInChI=1S/C23H13ClN2O3S/c24-17-11-13(9-10-20(17)27)21-25-18(12-30-21)16-7-3-4-8-19(16)26-22(28)14-5-1-2-6-15(14)23(26)29/h1-12,27H
InChIKeyGCFSMMINZKEBTH-UHFFFAOYSA-N
MW432.89 g/mol
LogP5.64
Rot. Bonds3

About 2-[2-[2-(3-chloro-4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl]isoindole-1,3-dione

2-[2-[2-(3-chloro-4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl]isoindole-1,3-dione (PubChem CID 166357818) has the molecular formula C23H13ClN2O3S and a molecular weight of 432.89 g/mol. Its IUPAC name is 2-[2-[2-(3-chloro-4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[2-(3-chloro-4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl]isoindole-1,3-dione
PubChem CID166357818
Molecular FormulaC23H13ClN2O3S
Molecular Weight432.89 g/mol
Exact Mass432.03
IUPAC Name2-[2-[2-(3-chloro-4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccccc1-c1csc(-c2ccc(O)c(Cl)c2)n1
InChIInChI=1S/C23H13ClN2O3S/c24-17-11-13(9-10-20(17)27)21-25-18(12-30-21)16-7-3-4-8-19(16)26-22(28)14-5-1-2-6-15(14)23(26)29/h1-12,27H
InChIKeyGCFSMMINZKEBTH-UHFFFAOYSA-N
XLogP5.64
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.89
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(3-chloro-4-hydroxyphenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 135975584
4-(4-phenyl-1,3-thiazol-2-yl)benzene-1,2-diol
CID 169215045
3-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]-4-hydroxypyrrole-2,5-dione
CID 54702982
2-[3-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]isoindole-1,3-dione
CID 168518353
2-(2-hydroxy-5-phenylphenyl)isoindole-1,3-dione
CID 172816756
2-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione
CID 168518992
3-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]phenol
CID 28942301
2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]aniline
CID 63447079
methyl 2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoate
CID 174727553
2-[2-chloro-4-[3-chloro-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl]phenyl]benzo[de]isoquinoline-1,3-dione
CID 2845100
4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoic acid
CID 1473794
3-[4-(2-methylphenyl)-1,3-thiazol-2-yl]phenol
CID 28942300

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3-chloro-4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[2-(3-chloro-4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl]isoindole-1,3-dione (CID 166357818) is 2-[2-[2-(3-chloro-4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[2-(3-chloro-4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[2-(3-chloro-4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1ccccc1-c1csc(-c2ccc(O)c(Cl)c2)n1.
What is the InChIKey of 2-[2-[2-(3-chloro-4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl]isoindole-1,3-dione?
The InChIKey is GCFSMMINZKEBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13ClN2O3S/c24-17-11-13(9-10-20(17)27)21-25-18(12-30-21)16-7-3-4-8-19(16)26-22(28)14-5-1-2-6-15(14)23(26)29/h1-12,27H.
What are the key properties of 2-[2-[2-(3-chloro-4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl]isoindole-1,3-dione?
2-[2-[2-(3-chloro-4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl]isoindole-1,3-dione has a molecular weight of 432.89 g/mol, XLogP of 5.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3-chloro-4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl]isoindole-1,3-dione is sourced from PubChem (CID 166357818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).