2-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione

C18H10Cl2N2O2S — CID 1362402

IUPAC2-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ncc(Cc2cccc(Cl)c2Cl)s1
InChIInChI=1S/C18H10Cl2N2O2S/c19-14-7-3-4-10(15(14)20)8-11-9-21-18(25-11)22-16(23)12-5-1-2-6-13(12)17(22)24/h1-7,9H,8H2
InChIKeyZTMOUYNUOHXXME-UHFFFAOYSA-N
MW389.26 g/mol
LogP4.84
Rot. Bonds3

About 2-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione

2-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione (PubChem CID 1362402) has the molecular formula C18H10Cl2N2O2S and a molecular weight of 389.26 g/mol. Its IUPAC name is 2-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione
PubChem CID1362402
Molecular FormulaC18H10Cl2N2O2S
Molecular Weight389.26 g/mol
Exact Mass387.98
IUPAC Name2-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ncc(Cc2cccc(Cl)c2Cl)s1
InChIInChI=1S/C18H10Cl2N2O2S/c19-14-7-3-4-10(15(14)20)8-11-9-21-18(25-11)22-16(23)12-5-1-2-6-13(12)17(22)24/h1-7,9H,8H2
InChIKeyZTMOUYNUOHXXME-UHFFFAOYSA-N
XLogP4.84
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.26
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione 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

2-[5-(4-Chloro-benzyl)-thiazol-2-yl]-isoindole-1,3-dione
CID 987674
2-[5-[[3-(Trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione
CID 1124881
N-[5-(3-chlorobenzyl)-1,3-thiazol-2-yl]benzamide
CID 726220
2-(5-Methylthiazol-2-yl)isoindoline-1,3-dione
CID 2232117
2-chloro-N-[5-(3,4-dichlorobenzyl)-1,3-thiazol-2-yl]benzamide
CID 987683
N-(5-(2,5-Dichlorobenzyl)-1,3-thiazol-2-YL)benzamide
CID 988267
2-[5-(2-chlorobenzyl)-1,3-thiazol-2-yl]-1H-isoindole-1,3(2H)-dione
CID 987711
2-[5-[(4-Bromophenyl)methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione
CID 1362088
2-[5-(2,5-dichlorobenzyl)-1,3-thiazol-2-yl]-1H-isoindole-1,3(2H)-dione
CID 1363553
4-Chloro-N-(5-(2-chlorobenzyl)-1,3-thiazol-2-YL)benzamide
CID 988260
4-Chloro-N-(5-(2,3-dichlorobenzyl)-1,3-thiazol-2-YL)benzamide
CID 988262
N-(5-(2,5-Dichlorobenzyl)-1,3-thiazol-2-YL)-4-methylbenzamide
CID 988277

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione?
The IUPAC name of 2-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione (CID 1362402) is 2-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1ncc(Cc2cccc(Cl)c2Cl)s1.
What is the InChIKey of 2-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione?
The InChIKey is ZTMOUYNUOHXXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl2N2O2S/c19-14-7-3-4-10(15(14)20)8-11-9-21-18(25-11)22-16(23)12-5-1-2-6-13(12)17(22)24/h1-7,9H,8H2.
What are the key properties of 2-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione?
2-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione has a molecular weight of 389.26 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 1362402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).