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

C18H19N3O4S — CID 5184120

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCCOc1ccc(-c2csc(NC(=O)CN3C(=O)CCC3=O)n2)cc1
InChIInChI=1S/C18H19N3O4S/c1-2-9-25-13-5-3-12(4-6-13)14-11-26-18(19-14)20-15(22)10-21-16(23)7-8-17(21)24/h3-6,11H,2,7-10H2,1H3,(H,19,20,22)
InChIKeyPFFODLYMLFHWPB-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.69
Rot. Bonds7

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

2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 5184120) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID5184120
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCCOc1ccc(-c2csc(NC(=O)CN3C(=O)CCC3=O)n2)cc1
InChIInChI=1S/C18H19N3O4S/c1-2-9-25-13-5-3-12(4-6-13)14-11-26-18(19-14)20-15(22)10-21-16(23)7-8-17(21)24/h3-6,11H,2,7-10H2,1H3,(H,19,20,22)
InChIKeyPFFODLYMLFHWPB-UHFFFAOYSA-N
XLogP2.69
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

T16AInh-A01
CID 135460621
(2S)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide
CID 16245514
3-acetamido-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide
CID 24818334
N-Ethyl-N-[4-(4-methoxy-phenyl)-thiazol-2-yl]-propionamide
CID 645119
N'-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methyl-2-oxononanediamide
CID 9822443
(2S,3S)-2-{(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl}-3-phenyl-N-(4-propionyl-1,3-thiazol-2-yl)butanamide
CID 11526671
1-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 44144332
(S)-benzyl 1-(4-(4-methoxyphenyl)thiazol-2-ylamino)-1-oxo-6-(sulfamoylamino)hexan-2-ylcarbamate
CID 44572406
1-[4-(3-Propan-2-yloxyphenyl)-2-thiazolyl]-4-piperidinecarboxamide
CID 46907658
JT010
CID 18524489
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)acetamide
CID 656248
N-({[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino}carbonothioyl)butanamide
CID 802145

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide (CID 5184120) is 2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide is CCCOc1ccc(-c2csc(NC(=O)CN3C(=O)CCC3=O)n2)cc1.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is PFFODLYMLFHWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-2-9-25-13-5-3-12(4-6-13)14-11-26-18(19-14)20-15(22)10-21-16(23)7-8-17(21)24/h3-6,11H,2,7-10H2,1H3,(H,19,20,22).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide?
2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 373.43 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 5184120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).