2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide

C19H12FN3O3S — CID 1193133

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C19H12FN3O3S/c20-12-7-5-11(6-8-12)15-10-27-19(21-15)22-16(24)9-23-17(25)13-3-1-2-4-14(13)18(23)26/h1-8,10H,9H2,(H,21,22,24)
InChIKeyWDZTYOUBKNLGOI-UHFFFAOYSA-N
MW381.39 g/mol
LogP3.18
Rot. Bonds4

About 2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide

2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 1193133) has the molecular formula C19H12FN3O3S and a molecular weight of 381.39 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID1193133
Molecular FormulaC19H12FN3O3S
Molecular Weight381.39 g/mol
Exact Mass381.06
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C19H12FN3O3S/c20-12-7-5-11(6-8-12)15-10-27-19(21-15)22-16(24)9-23-17(25)13-3-1-2-4-14(13)18(23)26/h1-8,10H,9H2,(H,21,22,24)
InChIKeyWDZTYOUBKNLGOI-UHFFFAOYSA-N
XLogP3.18
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 53.18
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-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 2090365
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 16592135
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
CID 3218991
2-[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]ethyl]isoindole-1,3-dione
CID 59761353
2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1133114
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 4791353
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 16592785
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide
CID 704241
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide
CID 25026752
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4-phenylphenoxy)acetamide
CID 19178667
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 24597201
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 55437111

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide (CID 1193133) is 2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide is O=C(CN1C(=O)c2ccccc2C1=O)Nc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is WDZTYOUBKNLGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN3O3S/c20-12-7-5-11(6-8-12)15-10-27-19(21-15)22-16(24)9-23-17(25)13-3-1-2-4-14(13)18(23)26/h1-8,10H,9H2,(H,21,22,24).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 381.39 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 1193133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).