2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]isoindole-1,3-dione

C15H14N2O2S — CID 15670031

IUPAC2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]isoindole-1,3-dione
SMILESCc1nc(C)c(CCN2C(=O)c3ccccc3C2=O)s1
InChIInChI=1S/C15H14N2O2S/c1-9-13(20-10(2)16-9)7-8-17-14(18)11-5-3-4-6-12(11)15(17)19/h3-6H,7-8H2,1-2H3
InChIKeyMFJVCEWOOPCROM-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.60
Rot. Bonds3

About 2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]isoindole-1,3-dione

2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]isoindole-1,3-dione (PubChem CID 15670031) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]isoindole-1,3-dione
PubChem CID15670031
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]isoindole-1,3-dione
SMILESCc1nc(C)c(CCN2C(=O)c3ccccc3C2=O)s1
InChIInChI=1S/C15H14N2O2S/c1-9-13(20-10(2)16-9)7-8-17-14(18)11-5-3-4-6-12(11)15(17)19/h3-6H,7-8H2,1-2H3
InChIKeyMFJVCEWOOPCROM-UHFFFAOYSA-N
XLogP2.60
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.60
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

2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]isoindole-1,3-dione
CID 1497777
2-[2-(1-ethyl-5-methyl-1,2,4-triazol-3-yl)ethyl]isoindole-1,3-dione
CID 10802980
2-[2-(6-methyl-1,3-benzothiazol-2-yl)ethyl]isoindole-1,3-dione
CID 75465232
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-[2-(5-methyl-1H-imidazol-4-yl)ethyl]isoindole-1,3-dione
CID 19775949
hydron;2-propylisoindole-1,3-dione
CID 174827386
N-[5-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 75465114
3-(1,3-dioxoisoindol-2-yl)propan-1-olate
CID 140721734
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]isoindole-1,3-dione
CID 3381295
2-[2-[5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]ethyl]isoindole-1,3-dione
CID 108777875
2-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]isoindole-1,3-dione
CID 9422565
2-[2-(2-amino-3-pyridinyl)ethyl]isoindole-1,3-dione;hydrochloride
CID 19079193

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]isoindole-1,3-dione (CID 15670031) is 2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]isoindole-1,3-dione is Cc1nc(C)c(CCN2C(=O)c3ccccc3C2=O)s1.
What is the InChIKey of 2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]isoindole-1,3-dione?
The InChIKey is MFJVCEWOOPCROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-9-13(20-10(2)16-9)7-8-17-14(18)11-5-3-4-6-12(11)15(17)19/h3-6H,7-8H2,1-2H3.
What are the key properties of 2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]isoindole-1,3-dione?
2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]isoindole-1,3-dione has a molecular weight of 286.36 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 15670031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).