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

C21H17N3O4S — CID 16877112

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCOc1ccc(-c2csc(NC(=O)CN3C(=O)c4ccccc4C3=O)n2)cc1
InChIInChI=1S/C21H17N3O4S/c1-2-28-14-9-7-13(8-10-14)17-12-29-21(22-17)23-18(25)11-24-19(26)15-5-3-4-6-16(15)20(24)27/h3-10,12H,2,11H2,1H3,(H,22,23,25)
InChIKeyLTLXQYVOUOEMLT-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.44
Rot. Bonds6

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

2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 16877112) has the molecular formula C21H17N3O4S and a molecular weight of 407.45 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID16877112
Molecular FormulaC21H17N3O4S
Molecular Weight407.45 g/mol
Exact Mass407.09
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCOc1ccc(-c2csc(NC(=O)CN3C(=O)c4ccccc4C3=O)n2)cc1
InChIInChI=1S/C21H17N3O4S/c1-2-28-14-9-7-13(8-10-14)17-12-29-21(22-17)23-18(25)11-24-19(26)15-5-3-4-6-16(15)20(24)27/h3-10,12H,2,11H2,1H3,(H,22,23,25)
InChIKeyLTLXQYVOUOEMLT-UHFFFAOYSA-N
XLogP3.44
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.44
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-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide (CID 16877112) is 2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide is CCOc1ccc(-c2csc(NC(=O)CN3C(=O)c4ccccc4C3=O)n2)cc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is LTLXQYVOUOEMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4S/c1-2-28-14-9-7-13(8-10-14)17-12-29-21(22-17)23-18(25)11-24-19(26)15-5-3-4-6-16(15)20(24)27/h3-10,12H,2,11H2,1H3,(H,22,23,25).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 407.45 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 16877112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).