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

C14H13N3O2S — CID 1473045

IUPAC2-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione
SMILESCNc1nc(CCN2C(=O)c3ccccc3C2=O)cs1
InChIInChI=1S/C14H13N3O2S/c1-15-14-16-9(8-20-14)6-7-17-12(18)10-4-2-3-5-11(10)13(17)19/h2-5,8H,6-7H2,1H3,(H,15,16)
InChIKeyIMVCRZGFFYFRQB-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.02
Rot. Bonds4

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

2-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione (PubChem CID 1473045) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione
PubChem CID1473045
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name2-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione
SMILESCNc1nc(CCN2C(=O)c3ccccc3C2=O)cs1
InChIInChI=1S/C14H13N3O2S/c1-15-14-16-9(8-20-14)6-7-17-12(18)10-4-2-3-5-11(10)13(17)19/h2-5,8H,6-7H2,1H3,(H,15,16)
InChIKeyIMVCRZGFFYFRQB-UHFFFAOYSA-N
XLogP2.02
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-Phenyl-1,3-thiazol-2-yl)ethyl]-1H-isoindole-1,3(2H)-dione
CID 604477
2-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1H-isoindole-1,3(2H)-dione
CID 1482048
N-{4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}acetamide
CID 1473044
N-(4-methyl-1,3-thiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 2574102
2-(1,3-dioxoisoindolin-2-yl)-N-(thiazol-2-yl)acetamide
CID 2787059
3-((1,3-Dioxoisoindolin-2-yl)methyl)-7-methyl-5,6-dihydroimidazo[2,1-b]thiazol-7-ium iodide
CID 665167
2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-isoindole-1,3(2H)-dione
CID 1473461
2-{2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl}-1H-isoindole-1,3(2H)-dione
CID 1473492
2,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2464226
3-{2-[4-(4,5-Dimethyl-thiazol-2-yl)-piperazin-1-yl]-ethyl}-2,3-dihydro-isoindol-1-one
CID 9820085
N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-1,3-dioxoisoindol-4-yl)acetamide
CID 44224229
2-(2-methyl-1,3-dioxoisoindolin-4-yl)-N-(4-(3-(trifluoromethyl)phenyl)thiazol-2-yl)acetamide
CID 44241798

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione (CID 1473045) is 2-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione is CNc1nc(CCN2C(=O)c3ccccc3C2=O)cs1.
What is the InChIKey of 2-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione?
The InChIKey is IMVCRZGFFYFRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-15-14-16-9(8-20-14)6-7-17-12(18)10-4-2-3-5-11(10)13(17)19/h2-5,8H,6-7H2,1H3,(H,15,16).
What are the key properties of 2-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione?
2-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione has a molecular weight of 287.34 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 1473045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).