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

C19H14FN3O2S — CID 59761353

IUPAC2-[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCNc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C19H14FN3O2S/c20-13-7-5-12(6-8-13)16-11-26-19(22-16)21-9-10-23-17(24)14-3-1-2-4-15(14)18(23)25/h1-8,11H,9-10H2,(H,21,22)
InChIKeyHZMFYQPTPNXBAR-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.66
Rot. Bonds5

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

2-[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]ethyl]isoindole-1,3-dione (PubChem CID 59761353) has the molecular formula C19H14FN3O2S and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]ethyl]isoindole-1,3-dione
PubChem CID59761353
Molecular FormulaC19H14FN3O2S
Molecular Weight367.41 g/mol
Exact Mass367.08
IUPAC Name2-[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCNc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C19H14FN3O2S/c20-13-7-5-12(6-8-13)16-11-26-19(22-16)21-9-10-23-17(24)14-3-1-2-4-15(14)18(23)25/h1-8,11H,9-10H2,(H,21,22)
InChIKeyHZMFYQPTPNXBAR-UHFFFAOYSA-N
XLogP3.66
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.66
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-(1,3-dioxoisoindol-2-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1193133
4-(4-fluorophenyl)-N-[2-(triazol-1-yl)ethyl]-1,3-thiazol-2-amine
CID 133449438
N-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 1132723
N-(2-benzylsulfinylethyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 133372575
4-(4-fluorophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-amine
CID 133371519
4-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine
CID 133370524
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 4791353
2-[(4-phenyl-1,3-thiazol-2-yl)amino]isoindole-1,3-dione
CID 1497763
3-(1,3-dioxoisoindol-2-yl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 55722660
N-(cyclopropylmethyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 133371002
4-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine
CID 12790440
2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1133114

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]ethyl]isoindole-1,3-dione (CID 59761353) is 2-[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCNc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 2-[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]ethyl]isoindole-1,3-dione?
The InChIKey is HZMFYQPTPNXBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O2S/c20-13-7-5-12(6-8-13)16-11-26-19(22-16)21-9-10-23-17(24)14-3-1-2-4-15(14)18(23)25/h1-8,11H,9-10H2,(H,21,22).
What are the key properties of 2-[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]ethyl]isoindole-1,3-dione?
2-[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]ethyl]isoindole-1,3-dione has a molecular weight of 367.41 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 59761353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).