N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide

C17H17N3O5S — CID 4147416

IUPACN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
SMILESCOc1ccc(-c2csc(NC(=O)CN3C(=O)CCC3=O)n2)cc1OC
InChIInChI=1S/C17H17N3O5S/c1-24-12-4-3-10(7-13(12)25-2)11-9-26-17(18-11)19-14(21)8-20-15(22)5-6-16(20)23/h3-4,7,9H,5-6,8H2,1-2H3,(H,18,19,21)
InChIKeyHIYIROXKOXODNJ-UHFFFAOYSA-N
MW375.41 g/mol
LogP1.91
Rot. Bonds6

About N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide

N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide (PubChem CID 4147416) has the molecular formula C17H17N3O5S and a molecular weight of 375.41 g/mol. Its IUPAC name is N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
PubChem CID4147416
Molecular FormulaC17H17N3O5S
Molecular Weight375.41 g/mol
Exact Mass375.09
IUPAC NameN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
SMILESCOc1ccc(-c2csc(NC(=O)CN3C(=O)CCC3=O)n2)cc1OC
InChIInChI=1S/C17H17N3O5S/c1-24-12-4-3-10(7-13(12)25-2)11-9-26-17(18-11)19-14(21)8-20-15(22)5-6-16(20)23/h3-4,7,9H,5-6,8H2,1-2H3,(H,18,19,21)
InChIKeyHIYIROXKOXODNJ-UHFFFAOYSA-N
XLogP1.91
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide (CID 4147416) is N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide is COc1ccc(-c2csc(NC(=O)CN3C(=O)CCC3=O)n2)cc1OC.
What is the InChIKey of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The InChIKey is HIYIROXKOXODNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5S/c1-24-12-4-3-10(7-13(12)25-2)11-9-26-17(18-11)19-14(21)8-20-15(22)5-6-16(20)23/h3-4,7,9H,5-6,8H2,1-2H3,(H,18,19,21).
What are the key properties of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide has a molecular weight of 375.41 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 4147416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).