2-(4-methoxyphenyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide

C19H13N3O4S — CID 3929327

IUPAC2-(4-methoxyphenyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide
SMILESCOc1ccc(N2C(=O)c3ccc(C(=O)Nc4nccs4)cc3C2=O)cc1
InChIInChI=1S/C19H13N3O4S/c1-26-13-5-3-12(4-6-13)22-17(24)14-7-2-11(10-15(14)18(22)25)16(23)21-19-20-8-9-27-19/h2-10H,1H3,(H,20,21,23)
InChIKeyBHDKCRVDKKWCCY-UHFFFAOYSA-N
MW379.40 g/mol
LogP3.20
Rot. Bonds4

About 2-(4-methoxyphenyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide

2-(4-methoxyphenyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide (PubChem CID 3929327) has the molecular formula C19H13N3O4S and a molecular weight of 379.40 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide
PubChem CID3929327
Molecular FormulaC19H13N3O4S
Molecular Weight379.40 g/mol
Exact Mass379.06
IUPAC Name2-(4-methoxyphenyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide
SMILESCOc1ccc(N2C(=O)c3ccc(C(=O)Nc4nccs4)cc3C2=O)cc1
InChIInChI=1S/C19H13N3O4S/c1-26-13-5-3-12(4-6-13)22-17(24)14-7-2-11(10-15(14)18(22)25)16(23)21-19-20-8-9-27-19/h2-10H,1H3,(H,20,21,23)
InChIKeyBHDKCRVDKKWCCY-UHFFFAOYSA-N
XLogP3.20
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 53.20
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

2-[2-[3-(4-Methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-(1,3-thiazol-2-yl)isoindole-1,3-dione
CID 122192954
3-[[2-(2-methoxyphenyl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 1967581
2-(2-methoxyphenyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 4002073
3-({[1,3-dioxo-2-(1,3-thiazol-2-yl)-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)benzoic acid
CID 2835789
3-(4-Methoxybenzamido)-N-(1,3-thiazol-2-yl)benzamide
CID 2248518
3-methoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 1369403
4-{[(2-methoxyphenyl)acetyl]amino}-N-(1,3-thiazol-2-yl)benzamide
CID 1339770
3-{[(4-methoxyphenyl)acetyl]amino}-N-(1,3-thiazol-2-yl)benzamide
CID 1340553
2-(5-ethynyl-3-oxo-1H-isoindol-2-yl)-2-(5-fluoro-2-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 138467182
2-[5-fluoro-2-(methoxymethoxy)phenyl]-2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 138534311
2-[5-[4-(2-aminoethylamino)phenyl]-3-oxo-1H-isoindol-2-yl]-2-[5-fluoro-2-(methoxymethoxy)phenyl]-N-(1,3-thiazol-2-yl)acetamide
CID 146493024
2-(5-fluoro-2-methoxyphenyl)-2-(7-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 155431842

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide (CID 3929327) is 2-(4-methoxyphenyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide is COc1ccc(N2C(=O)c3ccc(C(=O)Nc4nccs4)cc3C2=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide?
The InChIKey is BHDKCRVDKKWCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O4S/c1-26-13-5-3-12(4-6-13)22-17(24)14-7-2-11(10-15(14)18(22)25)16(23)21-19-20-8-9-27-19/h2-10H,1H3,(H,20,21,23).
What are the key properties of 2-(4-methoxyphenyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide?
2-(4-methoxyphenyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide has a molecular weight of 379.40 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide is sourced from PubChem (CID 3929327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).