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

C16H17N3OS — CID 2997889

IUPACN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1
InChIInChI=1S/C16H17N3OS/c1-16(2,3)14(20)17-12-6-4-11(5-7-12)13-10-19-8-9-21-15(19)18-13/h4-10H,1-3H3,(H,17,20)
InChIKeyUJXOHCUXVXWFNG-UHFFFAOYSA-N
MW299.40 g/mol
LogP4.05
Rot. Bonds2

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

N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,2-dimethylpropanamide (PubChem CID 2997889) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,2-dimethylpropanamide
PubChem CID2997889
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC NameN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1
InChIInChI=1S/C16H17N3OS/c1-16(2,3)14(20)17-12-6-4-11(5-7-12)13-10-19-8-9-21-15(19)18-13/h4-10H,1-3H3,(H,17,20)
InChIKeyUJXOHCUXVXWFNG-UHFFFAOYSA-N
XLogP4.05
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,2-dimethylpropanamide (CID 2997889) is N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1.
What is the InChIKey of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,2-dimethylpropanamide?
The InChIKey is UJXOHCUXVXWFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-16(2,3)14(20)17-12-6-4-11(5-7-12)13-10-19-8-9-21-15(19)18-13/h4-10H,1-3H3,(H,17,20).
What are the key properties of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,2-dimethylpropanamide?
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,2-dimethylpropanamide has a molecular weight of 299.40 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 2997889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).