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

C19H13N3O4S — CID 4002073

IUPAC2-(2-methoxyphenyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide
SMILESCOc1ccccc1N1C(=O)c2ccc(C(=O)Nc3nccs3)cc2C1=O
InChIInChI=1S/C19H13N3O4S/c1-26-15-5-3-2-4-14(15)22-17(24)12-7-6-11(10-13(12)18(22)25)16(23)21-19-20-8-9-27-19/h2-10H,1H3,(H,20,21,23)
InChIKeyDDYTYEWYXWYZAB-UHFFFAOYSA-N
MW379.40 g/mol
LogP3.20
Rot. Bonds4

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

2-(2-methoxyphenyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide (PubChem CID 4002073) has the molecular formula C19H13N3O4S and a molecular weight of 379.40 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide
PubChem CID4002073
Molecular FormulaC19H13N3O4S
Molecular Weight379.40 g/mol
Exact Mass379.06
IUPAC Name2-(2-methoxyphenyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide
SMILESCOc1ccccc1N1C(=O)c2ccc(C(=O)Nc3nccs3)cc2C1=O
InChIInChI=1S/C19H13N3O4S/c1-26-15-5-3-2-4-14(15)22-17(24)12-7-6-11(10-13(12)18(22)25)16(23)21-19-20-8-9-27-19/h2-10H,1H3,(H,20,21,23)
InChIKeyDDYTYEWYXWYZAB-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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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide?
The IUPAC name of 2-(2-methoxyphenyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide (CID 4002073) is 2-(2-methoxyphenyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide?
The canonical SMILES for 2-(2-methoxyphenyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide is COc1ccccc1N1C(=O)c2ccc(C(=O)Nc3nccs3)cc2C1=O.
What is the InChIKey of 2-(2-methoxyphenyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide?
The InChIKey is DDYTYEWYXWYZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O4S/c1-26-15-5-3-2-4-14(15)22-17(24)12-7-6-11(10-13(12)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-(2-methoxyphenyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide?
2-(2-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-(2-methoxyphenyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide is sourced from PubChem (CID 4002073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).