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

C14H12N2O2S — CID 1497777

IUPAC2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]isoindole-1,3-dione
SMILESCc1csc(CCN2C(=O)c3ccccc3C2=O)n1
InChIInChI=1S/C14H12N2O2S/c1-9-8-19-12(15-9)6-7-16-13(17)10-4-2-3-5-11(10)14(16)18/h2-5,8H,6-7H2,1H3
InChIKeyWAKHWVGZCVQKGA-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.29
Rot. Bonds3

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

2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]isoindole-1,3-dione (PubChem CID 1497777) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]isoindole-1,3-dione
PubChem CID1497777
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]isoindole-1,3-dione
SMILESCc1csc(CCN2C(=O)c3ccccc3C2=O)n1
InChIInChI=1S/C14H12N2O2S/c1-9-8-19-12(15-9)6-7-16-13(17)10-4-2-3-5-11(10)14(16)18/h2-5,8H,6-7H2,1H3
InChIKeyWAKHWVGZCVQKGA-UHFFFAOYSA-N
XLogP2.29
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.29
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

3-(1,3-dioxoisoindol-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 51315920
2-[[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]methyl]isoindole-1,3-dione
CID 9324948
2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]isoindole-1,3-dione
CID 15670031
2-[2-(6-methyl-1,3-benzothiazol-2-yl)ethyl]isoindole-1,3-dione
CID 75465232
2-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]isoindole-1,3-dione
CID 52887124
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 17361609
4-methylidene-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-quinazolin-2-one
CID 25470230
3-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,2-dioxo-1H-2λ6,3-benzothiazin-4-one
CID 71998292
2-(2-aminoethyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 120624564
N-[5-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 75465114
2-[2-(1-ethyl-5-methyl-1,2,4-triazol-3-yl)ethyl]isoindole-1,3-dione
CID 10802980
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-ethyl-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine
CID 111688740

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]isoindole-1,3-dione (CID 1497777) is 2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]isoindole-1,3-dione is Cc1csc(CCN2C(=O)c3ccccc3C2=O)n1.
What is the InChIKey of 2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]isoindole-1,3-dione?
The InChIKey is WAKHWVGZCVQKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-9-8-19-12(15-9)6-7-16-13(17)10-4-2-3-5-11(10)14(16)18/h2-5,8H,6-7H2,1H3.
What are the key properties of 2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]isoindole-1,3-dione?
2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]isoindole-1,3-dione has a molecular weight of 272.33 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 1497777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).