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

C18H10Cl2N2O2S — CID 1363553

IUPAC2-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ncc(Cc2cc(Cl)ccc2Cl)s1
InChIInChI=1S/C18H10Cl2N2O2S/c19-11-5-6-15(20)10(7-11)8-12-9-21-18(25-12)22-16(23)13-3-1-2-4-14(13)17(22)24/h1-7,9H,8H2
InChIKeyHWXQOEWCKKPLAN-UHFFFAOYSA-N
MW389.26 g/mol
LogP4.84
Rot. Bonds3

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

2-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione (PubChem CID 1363553) has the molecular formula C18H10Cl2N2O2S and a molecular weight of 389.26 g/mol. Its IUPAC name is 2-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione
PubChem CID1363553
Molecular FormulaC18H10Cl2N2O2S
Molecular Weight389.26 g/mol
Exact Mass387.98
IUPAC Name2-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ncc(Cc2cc(Cl)ccc2Cl)s1
InChIInChI=1S/C18H10Cl2N2O2S/c19-11-5-6-15(20)10(7-11)8-12-9-21-18(25-12)22-16(23)13-3-1-2-4-14(13)17(22)24/h1-7,9H,8H2
InChIKeyHWXQOEWCKKPLAN-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione?
The IUPAC name of 2-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione (CID 1363553) is 2-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1ncc(Cc2cc(Cl)ccc2Cl)s1.
What is the InChIKey of 2-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione?
The InChIKey is HWXQOEWCKKPLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl2N2O2S/c19-11-5-6-15(20)10(7-11)8-12-9-21-18(25-12)22-16(23)13-3-1-2-4-14(13)17(22)24/h1-7,9H,8H2.
What are the key properties of 2-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione?
2-[5-[(2,5-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-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 1363553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).