2-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione

C18H11ClN2O2S — CID 987674

IUPAC2-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ncc(Cc2ccc(Cl)cc2)s1
InChIInChI=1S/C18H11ClN2O2S/c19-12-7-5-11(6-8-12)9-13-10-20-18(24-13)21-16(22)14-3-1-2-4-15(14)17(21)23/h1-8,10H,9H2
InChIKeyCMGZGJKRZVHQQD-UHFFFAOYSA-N
MW354.82 g/mol
LogP4.19
Rot. Bonds3

About 2-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione

2-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione (PubChem CID 987674) has the molecular formula C18H11ClN2O2S and a molecular weight of 354.82 g/mol. Its IUPAC name is 2-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione
PubChem CID987674
Molecular FormulaC18H11ClN2O2S
Molecular Weight354.82 g/mol
Exact Mass354.02
IUPAC Name2-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ncc(Cc2ccc(Cl)cc2)s1
InChIInChI=1S/C18H11ClN2O2S/c19-12-7-5-11(6-8-12)9-13-10-20-18(24-13)21-16(22)14-3-1-2-4-15(14)17(21)23/h1-8,10H,9H2
InChIKeyCMGZGJKRZVHQQD-UHFFFAOYSA-N
XLogP4.19
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione?
The IUPAC name of 2-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione (CID 987674) is 2-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1ncc(Cc2ccc(Cl)cc2)s1.
What is the InChIKey of 2-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione?
The InChIKey is CMGZGJKRZVHQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2O2S/c19-12-7-5-11(6-8-12)9-13-10-20-18(24-13)21-16(22)14-3-1-2-4-15(14)17(21)23/h1-8,10H,9H2.
What are the key properties of 2-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione?
2-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione has a molecular weight of 354.82 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 987674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).