(3R)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-phenylbutanamide

C21H19N3OS — CID 25346335

IUPAC(3R)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-phenylbutanamide
SMILESC[C@H](CC(=O)Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccccc1
InChIInChI=1S/C21H19N3OS/c1-15(16-5-3-2-4-6-16)13-20(25)22-18-9-7-17(8-10-18)19-14-24-11-12-26-21(24)23-19/h2-12,14-15H,13H2,1H3,(H,22,25)/t15-/m1/s1
InChIKeyHEVWUGLERSUYEX-OAHLLOKOSA-N
MW361.47 g/mol
LogP5.20
Rot. Bonds5

About (3R)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-phenylbutanamide

(3R)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-phenylbutanamide (PubChem CID 25346335) has the molecular formula C21H19N3OS and a molecular weight of 361.47 g/mol. Its IUPAC name is (3R)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-phenylbutanamide.

Molecular Properties

Compound Name(3R)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-phenylbutanamide
PubChem CID25346335
Molecular FormulaC21H19N3OS
Molecular Weight361.47 g/mol
Exact Mass361.12
IUPAC Name(3R)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-phenylbutanamide
SMILESC[C@H](CC(=O)Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccccc1
InChIInChI=1S/C21H19N3OS/c1-15(16-5-3-2-4-6-16)13-20(25)22-18-9-7-17(8-10-18)19-14-24-11-12-26-21(24)23-19/h2-12,14-15H,13H2,1H3,(H,22,25)/t15-/m1/s1
InChIKeyHEVWUGLERSUYEX-OAHLLOKOSA-N
XLogP5.20
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.47
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-phenylbutanamide 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

N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)butanamide
CID 852131
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 35607833
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(methylamino)propanamide
CID 62639517
2-(2-ethoxyphenoxy)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 40723318
(3S)-3-phenyl-N-(4-phenylphenyl)butanamide
CID 7925945
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 9266854
1-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(4-methylphenyl)urea
CID 43936533
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-thiophen-3-ylacetamide
CID 37039093
3-(1,3-benzothiazol-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide
CID 3395067
2-(2,6-dichlorophenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 4674024
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 4877017
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 37038934

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-phenylbutanamide?
The IUPAC name of (3R)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-phenylbutanamide (CID 25346335) is (3R)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-phenylbutanamide.
What is the SMILES notation for (3R)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-phenylbutanamide?
The canonical SMILES for (3R)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-phenylbutanamide is C[C@H](CC(=O)Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccccc1.
What is the InChIKey of (3R)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-phenylbutanamide?
The InChIKey is HEVWUGLERSUYEX-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H19N3OS/c1-15(16-5-3-2-4-6-16)13-20(25)22-18-9-7-17(8-10-18)19-14-24-11-12-26-21(24)23-19/h2-12,14-15H,13H2,1H3,(H,22,25)/t15-/m1/s1.
What are the key properties of (3R)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-phenylbutanamide?
(3R)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-phenylbutanamide has a molecular weight of 361.47 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-phenylbutanamide is sourced from PubChem (CID 25346335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).