3-[2-[2-(4-aminophenyl)ethyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide

C14H17N3O2S — CID 147777638

IUPAC3-[2-[2-(4-aminophenyl)ethyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide
SMILESNc1ccc(CCc2nc(CCC(=O)NO)cs2)cc1
InChIInChI=1S/C14H17N3O2S/c15-11-4-1-10(2-5-11)3-8-14-16-12(9-20-14)6-7-13(18)17-19/h1-2,4-5,9,19H,3,6-8,15H2,(H,17,18)
InChIKeyHHDSOEQPXTYNID-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.95
Rot. Bonds6

About 3-[2-[2-(4-aminophenyl)ethyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide

3-[2-[2-(4-aminophenyl)ethyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide (PubChem CID 147777638) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-[2-[2-(4-aminophenyl)ethyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide.

Molecular Properties

Compound Name3-[2-[2-(4-aminophenyl)ethyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide
PubChem CID147777638
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name3-[2-[2-(4-aminophenyl)ethyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide
SMILESNc1ccc(CCc2nc(CCC(=O)NO)cs2)cc1
InChIInChI=1S/C14H17N3O2S/c15-11-4-1-10(2-5-11)3-8-14-16-12(9-20-14)6-7-13(18)17-19/h1-2,4-5,9,19H,3,6-8,15H2,(H,17,18)
InChIKeyHHDSOEQPXTYNID-UHFFFAOYSA-N
XLogP1.95
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[2-[2-(4-aminophenyl)ethyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(4-aminophenyl)ethyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide?
The IUPAC name of 3-[2-[2-(4-aminophenyl)ethyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide (CID 147777638) is 3-[2-[2-(4-aminophenyl)ethyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide.
What is the SMILES notation for 3-[2-[2-(4-aminophenyl)ethyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide?
The canonical SMILES for 3-[2-[2-(4-aminophenyl)ethyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide is Nc1ccc(CCc2nc(CCC(=O)NO)cs2)cc1.
What is the InChIKey of 3-[2-[2-(4-aminophenyl)ethyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide?
The InChIKey is HHDSOEQPXTYNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c15-11-4-1-10(2-5-11)3-8-14-16-12(9-20-14)6-7-13(18)17-19/h1-2,4-5,9,19H,3,6-8,15H2,(H,17,18).
What are the key properties of 3-[2-[2-(4-aminophenyl)ethyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide?
3-[2-[2-(4-aminophenyl)ethyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide has a molecular weight of 291.38 g/mol, XLogP of 1.95, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(4-aminophenyl)ethyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide is sourced from PubChem (CID 147777638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).