2-[4-[(Z)-2-amino-1-cyanoprop-1-enyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide

C17H18N4OS — CID 24587655

IUPAC2-[4-[(Z)-2-amino-1-cyanoprop-1-enyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)Cc2nc(/C(C#N)=C(\C)N)cs2)cc1
InChIInChI=1S/C17H18N4OS/c1-3-12-4-6-13(7-5-12)20-16(22)8-17-21-15(10-23-17)14(9-18)11(2)19/h4-7,10H,3,8,19H2,1-2H3,(H,20,22)/b14-11+
InChIKeyNJXVBFYYCYSRKZ-SDNWHVSQSA-N
MW326.43 g/mol
LogP3.10
Rot. Bonds5

About 2-[4-[(Z)-2-amino-1-cyanoprop-1-enyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide

2-[4-[(Z)-2-amino-1-cyanoprop-1-enyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide (PubChem CID 24587655) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 2-[4-[(Z)-2-amino-1-cyanoprop-1-enyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(Z)-2-amino-1-cyanoprop-1-enyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
PubChem CID24587655
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name2-[4-[(Z)-2-amino-1-cyanoprop-1-enyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)Cc2nc(/C(C#N)=C(\C)N)cs2)cc1
InChIInChI=1S/C17H18N4OS/c1-3-12-4-6-13(7-5-12)20-16(22)8-17-21-15(10-23-17)14(9-18)11(2)19/h4-7,10H,3,8,19H2,1-2H3,(H,20,22)/b14-11+
InChIKeyNJXVBFYYCYSRKZ-SDNWHVSQSA-N
XLogP3.10
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[4-[(Z)-2-amino-1-cyanoprop-1-enyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)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

2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
CID 8964779
N-[4-[2-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide
CID 9343938
2-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
CID 32951608
2-[4-[[(4-ethylphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 78787788
2-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 82154963
2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 24855468
4-[[2-(4-methyl-1,3-thiazol-2-yl)acetyl]amino]benzamide
CID 110484497
N-(4-ethylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 110388497
N-(4-ethylphenyl)-2-[4-[4-[2-(methanesulfonamido)ethyl]phenyl]-1,3-thiazol-2-yl]acetamide
CID 24603193
2-cyano-N-(4-ethylphenyl)-3-oxo-3-(2-propan-2-yl-1,3-thiazol-4-yl)propanamide
CID 154747423
N-(4-ethylphenyl)-2-phenylacetamide
CID 2684383
N-(4-ethylphenyl)-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110387017

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-2-amino-1-cyanoprop-1-enyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-[4-[(Z)-2-amino-1-cyanoprop-1-enyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide (CID 24587655) is 2-[4-[(Z)-2-amino-1-cyanoprop-1-enyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[(Z)-2-amino-1-cyanoprop-1-enyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-[4-[(Z)-2-amino-1-cyanoprop-1-enyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)Cc2nc(/C(C#N)=C(\C)N)cs2)cc1.
What is the InChIKey of 2-[4-[(Z)-2-amino-1-cyanoprop-1-enyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide?
The InChIKey is NJXVBFYYCYSRKZ-SDNWHVSQSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-3-12-4-6-13(7-5-12)20-16(22)8-17-21-15(10-23-17)14(9-18)11(2)19/h4-7,10H,3,8,19H2,1-2H3,(H,20,22)/b14-11+.
What are the key properties of 2-[4-[(Z)-2-amino-1-cyanoprop-1-enyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide?
2-[4-[(Z)-2-amino-1-cyanoprop-1-enyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide has a molecular weight of 326.43 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-2-amino-1-cyanoprop-1-enyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 24587655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).