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

C12H8N2O2S — CID 576299

IUPAC5-methyl-2-(1,3-thiazol-2-yl)isoindole-1,3-dione
SMILESCc1ccc2c(c1)C(=O)N(c1nccs1)C2=O
InChIInChI=1S/C12H8N2O2S/c1-7-2-3-8-9(6-7)11(16)14(10(8)15)12-13-4-5-17-12/h2-6H,1H3
InChIKeyIRRQYYPYLONJFQ-UHFFFAOYSA-N
MW244.28 g/mol
LogP2.25
Rot. Bonds1

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

5-methyl-2-(1,3-thiazol-2-yl)isoindole-1,3-dione (PubChem CID 576299) has the molecular formula C12H8N2O2S and a molecular weight of 244.28 g/mol. Its IUPAC name is 5-methyl-2-(1,3-thiazol-2-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-methyl-2-(1,3-thiazol-2-yl)isoindole-1,3-dione
PubChem CID576299
Molecular FormulaC12H8N2O2S
Molecular Weight244.28 g/mol
Exact Mass244.03
IUPAC Name5-methyl-2-(1,3-thiazol-2-yl)isoindole-1,3-dione
SMILESCc1ccc2c(c1)C(=O)N(c1nccs1)C2=O
InChIInChI=1S/C12H8N2O2S/c1-7-2-3-8-9(6-7)11(16)14(10(8)15)12-13-4-5-17-12/h2-6H,1H3
InChIKeyIRRQYYPYLONJFQ-UHFFFAOYSA-N
XLogP2.25
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Methyl-N-(1,3-thiazol-2-yl)benzamide
CID 576955
1,3-Dioxo-2-thiazol-2-yl-2,3-dihydro-1H-isoindole-5-carboxylic acid
CID 747663
N-(1,3-thiazol-2-yl)naphthalene-2-carboxamide
CID 780357
2-(1-oxoisoindolin-2-yl)-2-phenyl-N-(thiazol-2-yl)acetamide
CID 45370166
2-[5-[4-(1-methylpiperidin-4-yl)phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 168288146
2-ethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxo-5-isoindolinecarboxamide
CID 2233097
1-(2-methylbenzoyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 2559025
2-(1,3-dioxoisoindolin-2-yl)-N-(thiazol-2-yl)acetamide
CID 2787059
2-tert-butyl-1,3-dioxo-N-(1,3-thiazol-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 674366
2-(2-methylpropyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 700307
2-(1,3-Thiazol-2-yl)-1,2-benzoselenazol-3-one
CID 13277183
3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 44578306

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1,3-thiazol-2-yl)isoindole-1,3-dione?
The IUPAC name of 5-methyl-2-(1,3-thiazol-2-yl)isoindole-1,3-dione (CID 576299) is 5-methyl-2-(1,3-thiazol-2-yl)isoindole-1,3-dione.
What is the SMILES notation for 5-methyl-2-(1,3-thiazol-2-yl)isoindole-1,3-dione?
The canonical SMILES for 5-methyl-2-(1,3-thiazol-2-yl)isoindole-1,3-dione is Cc1ccc2c(c1)C(=O)N(c1nccs1)C2=O.
What is the InChIKey of 5-methyl-2-(1,3-thiazol-2-yl)isoindole-1,3-dione?
The InChIKey is IRRQYYPYLONJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2S/c1-7-2-3-8-9(6-7)11(16)14(10(8)15)12-13-4-5-17-12/h2-6H,1H3.
What are the key properties of 5-methyl-2-(1,3-thiazol-2-yl)isoindole-1,3-dione?
5-methyl-2-(1,3-thiazol-2-yl)isoindole-1,3-dione has a molecular weight of 244.28 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1,3-thiazol-2-yl)isoindole-1,3-dione is sourced from PubChem (CID 576299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).