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

C23H21N3O4S — CID 19228287

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
SMILESCCOc1ccc(-c2nc(NC(=O)C(C)N3C(=O)c4ccccc4C3=O)sc2C)cc1
InChIInChI=1S/C23H21N3O4S/c1-4-30-16-11-9-15(10-12-16)19-14(3)31-23(24-19)25-20(27)13(2)26-21(28)17-7-5-6-8-18(17)22(26)29/h5-13H,4H2,1-3H3,(H,24,25,27)
InChIKeyIKYRJZJNSDCSFY-UHFFFAOYSA-N
MW435.51 g/mol
LogP4.14
Rot. Bonds6

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

2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide (PubChem CID 19228287) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
PubChem CID19228287
Molecular FormulaC23H21N3O4S
Molecular Weight435.51 g/mol
Exact Mass435.13
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
SMILESCCOc1ccc(-c2nc(NC(=O)C(C)N3C(=O)c4ccccc4C3=O)sc2C)cc1
InChIInChI=1S/C23H21N3O4S/c1-4-30-16-11-9-15(10-12-16)19-14(3)31-23(24-19)25-20(27)13(2)26-21(28)17-7-5-6-8-18(17)22(26)29/h5-13H,4H2,1-3H3,(H,24,25,27)
InChIKeyIKYRJZJNSDCSFY-UHFFFAOYSA-N
XLogP4.14
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 54.14
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-amino-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 39177185
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide
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N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-propan-2-ylphenoxy)acetamide
CID 19228036
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 19227719
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 4200975
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 41362497
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
CID 3323337
2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 2640794
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide
CID 4557450
2-(1,3-dioxoisoindol-2-yl)-3-(1H-imidazol-5-yl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 3311346
2-(benzenesulfonyl)-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
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N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclobutanecarboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide (CID 19228287) is 2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide is CCOc1ccc(-c2nc(NC(=O)C(C)N3C(=O)c4ccccc4C3=O)sc2C)cc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide?
The InChIKey is IKYRJZJNSDCSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S/c1-4-30-16-11-9-15(10-12-16)19-14(3)31-23(24-19)25-20(27)13(2)26-21(28)17-7-5-6-8-18(17)22(26)29/h5-13H,4H2,1-3H3,(H,24,25,27).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide?
2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide has a molecular weight of 435.51 g/mol, XLogP of 4.14, 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)-5-methyl-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 19228287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).