(E)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)but-2-enamide

C15H13N3OS — CID 90625813

IUPAC(E)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)but-2-enamide
SMILESC/C=C/C(=O)Nc1ccccc1-c1cn2ccsc2n1
InChIInChI=1S/C15H13N3OS/c1-2-5-14(19)16-12-7-4-3-6-11(12)13-10-18-8-9-20-15(18)17-13/h2-10H,1H3,(H,16,19)/b5-2+
InChIKeyYQTFBTLJNVXJSL-GORDUTHDSA-N
MW283.36 g/mol
LogP3.58
Rot. Bonds3

About (E)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)but-2-enamide

(E)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)but-2-enamide (PubChem CID 90625813) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is (E)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)but-2-enamide
PubChem CID90625813
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name(E)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)but-2-enamide
SMILESC/C=C/C(=O)Nc1ccccc1-c1cn2ccsc2n1
InChIInChI=1S/C15H13N3OS/c1-2-5-14(19)16-12-7-4-3-6-11(12)13-10-18-8-9-20-15(18)17-13/h2-10H,1H3,(H,16,19)/b5-2+
InChIKeyYQTFBTLJNVXJSL-GORDUTHDSA-N
XLogP3.58
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)but-2-enamide 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-fluoro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 90625740
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4-dimethylbenzamide
CID 90625793
2-(4-bromophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 90625768
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propane-2-sulfonamide
CID 90626781
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-9H-xanthene-9-carboxamide
CID 90625760
1-(2,5-dichlorophenyl)-3-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea
CID 90626818
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 90625995
(3R)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)oxolane-3-carboxamide
CID 129410497
2-(4-chlorophenoxy)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 90625722
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 90626025
(2R)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(3-methyl-6-oxopyridazin-1-yl)propanamide
CID 129410500
6-(2-methylphenyl)imidazo[2,1-b][1,3]thiazole
CID 115403259

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)but-2-enamide?
The IUPAC name of (E)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)but-2-enamide (CID 90625813) is (E)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)but-2-enamide.
What is the SMILES notation for (E)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)but-2-enamide?
The canonical SMILES for (E)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)but-2-enamide is C/C=C/C(=O)Nc1ccccc1-c1cn2ccsc2n1.
What is the InChIKey of (E)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)but-2-enamide?
The InChIKey is YQTFBTLJNVXJSL-GORDUTHDSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-2-5-14(19)16-12-7-4-3-6-11(12)13-10-18-8-9-20-15(18)17-13/h2-10H,1H3,(H,16,19)/b5-2+.
What are the key properties of (E)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)but-2-enamide?
(E)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)but-2-enamide has a molecular weight of 283.36 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)but-2-enamide is sourced from PubChem (CID 90625813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).