5-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]isoindole-1,3-dione

C14H13N3O2S — CID 43670137

IUPAC5-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]isoindole-1,3-dione
SMILESCc1nc(C(C)Nc2ccc3c(c2)C(=O)NC3=O)cs1
InChIInChI=1S/C14H13N3O2S/c1-7(12-6-20-8(2)16-12)15-9-3-4-10-11(5-9)14(19)17-13(10)18/h3-7,15H,1-2H3,(H,17,18,19)
InChIKeyDHPRETKZJHFQGF-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.51
Rot. Bonds3

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

5-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]isoindole-1,3-dione (PubChem CID 43670137) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 5-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]isoindole-1,3-dione.

Molecular Properties

Compound Name5-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]isoindole-1,3-dione
PubChem CID43670137
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name5-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]isoindole-1,3-dione
SMILESCc1nc(C(C)Nc2ccc3c(c2)C(=O)NC3=O)cs1
InChIInChI=1S/C14H13N3O2S/c1-7(12-6-20-8(2)16-12)15-9-3-4-10-11(5-9)14(19)17-13(10)18/h3-7,15H,1-2H3,(H,17,18,19)
InChIKeyDHPRETKZJHFQGF-UHFFFAOYSA-N
XLogP2.51
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43670072
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalen-2-amine
CID 43680346
6-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]-4H-1,4-benzothiazin-3-one
CID 43723199
3-fluoro-4-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43670116
5-[1-(2-methylphenyl)ethylamino]isoindole-1,3-dione
CID 43197044
5-[1-(3-bromothiophen-2-yl)ethylamino]isoindole-1,3-dione
CID 43766297
2,2-dimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-benzodioxol-5-amine
CID 43676344
5-[1-(4-methoxyphenyl)ethylamino]isoindole-1,3-dione
CID 43826105
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-5-amine
CID 43670073
N-[2-methyl-4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]phenyl]acetamide
CID 43672908
N,2-dimethyl-5-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide
CID 43717563
4-N,4-N-dimethyl-1-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine
CID 43670343

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]isoindole-1,3-dione?
The IUPAC name of 5-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]isoindole-1,3-dione (CID 43670137) is 5-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]isoindole-1,3-dione.
What is the SMILES notation for 5-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]isoindole-1,3-dione?
The canonical SMILES for 5-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]isoindole-1,3-dione is Cc1nc(C(C)Nc2ccc3c(c2)C(=O)NC3=O)cs1.
What is the InChIKey of 5-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]isoindole-1,3-dione?
The InChIKey is DHPRETKZJHFQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-7(12-6-20-8(2)16-12)15-9-3-4-10-11(5-9)14(19)17-13(10)18/h3-7,15H,1-2H3,(H,17,18,19).
What are the key properties of 5-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]isoindole-1,3-dione?
5-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]isoindole-1,3-dione has a molecular weight of 287.34 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]isoindole-1,3-dione is sourced from PubChem (CID 43670137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).