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

C12H8N2O2S — CID 53392602

IUPAC4-methyl-2-(1,3-thiazol-2-yl)isoindole-1,3-dione
SMILESCc1cccc2c1C(=O)N(c1nccs1)C2=O
InChIInChI=1S/C12H8N2O2S/c1-7-3-2-4-8-9(7)11(16)14(10(8)15)12-13-5-6-17-12/h2-6H,1H3
InChIKeyZTFMOQKUSDGMTP-UHFFFAOYSA-N
MW244.28 g/mol
LogP2.25
Rot. Bonds1

About 4-methyl-2-(1,3-thiazol-2-yl)isoindole-1,3-dione

4-methyl-2-(1,3-thiazol-2-yl)isoindole-1,3-dione (PubChem CID 53392602) has the molecular formula C12H8N2O2S and a molecular weight of 244.28 g/mol. Its IUPAC name is 4-methyl-2-(1,3-thiazol-2-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-methyl-2-(1,3-thiazol-2-yl)isoindole-1,3-dione
PubChem CID53392602
Molecular FormulaC12H8N2O2S
Molecular Weight244.28 g/mol
Exact Mass244.03
IUPAC Name4-methyl-2-(1,3-thiazol-2-yl)isoindole-1,3-dione
SMILESCc1cccc2c1C(=O)N(c1nccs1)C2=O
InChIInChI=1S/C12H8N2O2S/c1-7-3-2-4-8-9(7)11(16)14(10(8)15)12-13-5-6-17-12/h2-6H,1H3
InChIKeyZTFMOQKUSDGMTP-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

N-2-Thiazolylbenzamide
CID 569547
N-(1,3-Thiazol-2-YL)-1-naphthamide
CID 686200
1,3-Dioxo-2-thiazol-2-yl-2,3-dihydro-1H-isoindole-5-carboxylic acid
CID 747663
2-(1-oxoisoindolin-2-yl)-2-phenyl-N-(thiazol-2-yl)acetamide
CID 45370166
N-{4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}acetamide
CID 1473044
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
Methyl (5-((1,3-dioxoisoindolin-2-yl)methyl)thiazol-2-yl)carbamate
CID 1252123
2-(1,3-Thiazol-2-yl)-1,2-benzoselenazol-3-one
CID 13277183

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1,3-thiazol-2-yl)isoindole-1,3-dione?
The IUPAC name of 4-methyl-2-(1,3-thiazol-2-yl)isoindole-1,3-dione (CID 53392602) is 4-methyl-2-(1,3-thiazol-2-yl)isoindole-1,3-dione.
What is the SMILES notation for 4-methyl-2-(1,3-thiazol-2-yl)isoindole-1,3-dione?
The canonical SMILES for 4-methyl-2-(1,3-thiazol-2-yl)isoindole-1,3-dione is Cc1cccc2c1C(=O)N(c1nccs1)C2=O.
What is the InChIKey of 4-methyl-2-(1,3-thiazol-2-yl)isoindole-1,3-dione?
The InChIKey is ZTFMOQKUSDGMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2S/c1-7-3-2-4-8-9(7)11(16)14(10(8)15)12-13-5-6-17-12/h2-6H,1H3.
What are the key properties of 4-methyl-2-(1,3-thiazol-2-yl)isoindole-1,3-dione?
4-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 4-methyl-2-(1,3-thiazol-2-yl)isoindole-1,3-dione is sourced from PubChem (CID 53392602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).