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

C17H11N3O2S — CID 91901612

IUPAC2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1csc(-c2cccnc2)n1
InChIInChI=1S/C17H11N3O2S/c21-16-13-5-1-2-6-14(13)17(22)20(16)9-12-10-23-15(19-12)11-4-3-7-18-8-11/h1-8,10H,9H2
InChIKeyQSWBNWUVFVNGOE-UHFFFAOYSA-N
MW321.36 g/mol
LogP3.00
Rot. Bonds3

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

2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione (PubChem CID 91901612) has the molecular formula C17H11N3O2S and a molecular weight of 321.36 g/mol. Its IUPAC name is 2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione
PubChem CID91901612
Molecular FormulaC17H11N3O2S
Molecular Weight321.36 g/mol
Exact Mass321.06
IUPAC Name2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1csc(-c2cccnc2)n1
InChIInChI=1S/C17H11N3O2S/c21-16-13-5-1-2-6-14(13)17(22)20(16)9-12-10-23-15(19-12)11-4-3-7-18-8-11/h1-8,10H,9H2
InChIKeyQSWBNWUVFVNGOE-UHFFFAOYSA-N
XLogP3.00
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione
CID 168518992
2-(furan-2-ylmethyl)-1,3-dioxo-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]isoindole-5-carboxamide
CID 108749021
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 108748995
4-(cyclopentylmethyl)-2-pyridin-3-yl-1,3-thiazole
CID 67547913
N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61280471
4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridin-3-yl-1,3-thiazole
CID 18913481
5,6-dichloro-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione
CID 78834850
benzyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8918530
1-piperazin-1-yl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 39161804
4-(4-fluorophenyl)-2-pyridin-3-yl-1,3-thiazole
CID 592589
6-chloro-2-methyl-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 108779955
4-(4-ethylphenyl)-2-pyridin-3-yl-1,3-thiazole
CID 849786

Frequently Asked Questions

What is the IUPAC name of 2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione (CID 91901612) is 2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1csc(-c2cccnc2)n1.
What is the InChIKey of 2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione?
The InChIKey is QSWBNWUVFVNGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O2S/c21-16-13-5-1-2-6-14(13)17(22)20(16)9-12-10-23-15(19-12)11-4-3-7-18-8-11/h1-8,10H,9H2.
What are the key properties of 2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione?
2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione has a molecular weight of 321.36 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 91901612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).