2-[[4-oxo-3-(1,3-thiazol-2-yl)quinazolin-2-yl]methyl]isoindole-1,3-dione

C20H12N4O3S — CID 1042831

IUPAC2-[[4-oxo-3-(1,3-thiazol-2-yl)quinazolin-2-yl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1nc2ccccc2c(=O)n1-c1nccs1
InChIInChI=1S/C20H12N4O3S/c25-17-12-5-1-2-6-13(12)18(26)23(17)11-16-22-15-8-4-3-7-14(15)19(27)24(16)20-21-9-10-28-20/h1-10H,11H2
InChIKeyLYPBXHUDCVHGIC-UHFFFAOYSA-N
MW388.41 g/mol
LogP2.64
Rot. Bonds3

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

2-[[4-oxo-3-(1,3-thiazol-2-yl)quinazolin-2-yl]methyl]isoindole-1,3-dione (PubChem CID 1042831) has the molecular formula C20H12N4O3S and a molecular weight of 388.41 g/mol. Its IUPAC name is 2-[[4-oxo-3-(1,3-thiazol-2-yl)quinazolin-2-yl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[4-oxo-3-(1,3-thiazol-2-yl)quinazolin-2-yl]methyl]isoindole-1,3-dione
PubChem CID1042831
Molecular FormulaC20H12N4O3S
Molecular Weight388.41 g/mol
Exact Mass388.06
IUPAC Name2-[[4-oxo-3-(1,3-thiazol-2-yl)quinazolin-2-yl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1nc2ccccc2c(=O)n1-c1nccs1
InChIInChI=1S/C20H12N4O3S/c25-17-12-5-1-2-6-13(12)18(26)23(17)11-16-22-15-8-4-3-7-14(15)19(27)24(16)20-21-9-10-28-20/h1-10H,11H2
InChIKeyLYPBXHUDCVHGIC-UHFFFAOYSA-N
XLogP2.64
TPSA85.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-[[4-oxo-3-(1,3-thiazol-2-yl)quinazolin-2-yl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[4-oxo-3-(1,3-thiazol-2-yl)quinazolin-2-yl]methyl]isoindole-1,3-dione (CID 1042831) is 2-[[4-oxo-3-(1,3-thiazol-2-yl)quinazolin-2-yl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[4-oxo-3-(1,3-thiazol-2-yl)quinazolin-2-yl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[4-oxo-3-(1,3-thiazol-2-yl)quinazolin-2-yl]methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1nc2ccccc2c(=O)n1-c1nccs1.
What is the InChIKey of 2-[[4-oxo-3-(1,3-thiazol-2-yl)quinazolin-2-yl]methyl]isoindole-1,3-dione?
The InChIKey is LYPBXHUDCVHGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N4O3S/c25-17-12-5-1-2-6-13(12)18(26)23(17)11-16-22-15-8-4-3-7-14(15)19(27)24(16)20-21-9-10-28-20/h1-10H,11H2.
What are the key properties of 2-[[4-oxo-3-(1,3-thiazol-2-yl)quinazolin-2-yl]methyl]isoindole-1,3-dione?
2-[[4-oxo-3-(1,3-thiazol-2-yl)quinazolin-2-yl]methyl]isoindole-1,3-dione has a molecular weight of 388.41 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-oxo-3-(1,3-thiazol-2-yl)quinazolin-2-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 1042831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).