3-(1,3-dioxoisoindol-2-yl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide

C21H16FN3O4S — CID 55722660

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCOc1ccc(F)cc1-c1csc(NC(=O)CCN2C(=O)c3ccccc3C2=O)n1
InChIInChI=1S/C21H16FN3O4S/c1-29-17-7-6-12(22)10-15(17)16-11-30-21(23-16)24-18(26)8-9-25-19(27)13-4-2-3-5-14(13)20(25)28/h2-7,10-11H,8-9H2,1H3,(H,23,24,26)
InChIKeyRTNKMGAFUHUALY-UHFFFAOYSA-N
MW425.44 g/mol
LogP3.58
Rot. Bonds6

About 3-(1,3-dioxoisoindol-2-yl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide

3-(1,3-dioxoisoindol-2-yl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 55722660) has the molecular formula C21H16FN3O4S and a molecular weight of 425.44 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID55722660
Molecular FormulaC21H16FN3O4S
Molecular Weight425.44 g/mol
Exact Mass425.08
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCOc1ccc(F)cc1-c1csc(NC(=O)CCN2C(=O)c3ccccc3C2=O)n1
InChIInChI=1S/C21H16FN3O4S/c1-29-17-7-6-12(22)10-15(17)16-11-30-21(23-16)24-18(26)8-9-25-19(27)13-4-2-3-5-14(13)20(25)28/h2-7,10-11H,8-9H2,1H3,(H,23,24,26)
InChIKeyRTNKMGAFUHUALY-UHFFFAOYSA-N
XLogP3.58
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-[(2-phenylacetyl)amino]propanamide
CID 55722948
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 4003372
N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 55722692
2-(2,4-dimethoxyphenyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 55723018
4-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 82033947
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 18089737
4-(4-ethoxyphenyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-oxobutanamide
CID 78878927
N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 78878975
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide;hydrochloride
CID 119713306
2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1193133
N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 55722630
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 4791355

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide (CID 55722660) is 3-(1,3-dioxoisoindol-2-yl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide is COc1ccc(F)cc1-c1csc(NC(=O)CCN2C(=O)c3ccccc3C2=O)n1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is RTNKMGAFUHUALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O4S/c1-29-17-7-6-12(22)10-15(17)16-11-30-21(23-16)24-18(26)8-9-25-19(27)13-4-2-3-5-14(13)20(25)28/h2-7,10-11H,8-9H2,1H3,(H,23,24,26).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
3-(1,3-dioxoisoindol-2-yl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 425.44 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 55722660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).