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

C15H15N3OS — CID 752439

IUPACN-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)butanamide
SMILESCCCC(=O)Nc1cccc(-c2cn3ccsc3n2)c1
InChIInChI=1S/C15H15N3OS/c1-2-4-14(19)16-12-6-3-5-11(9-12)13-10-18-7-8-20-15(18)17-13/h3,5-10H,2,4H2,1H3,(H,16,19)
InChIKeyGSAMIDYKOPEHCV-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.80
Rot. Bonds4

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

N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)butanamide (PubChem CID 752439) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)butanamide.

Molecular Properties

Compound NameN-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)butanamide
PubChem CID752439
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC NameN-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)butanamide
SMILESCCCC(=O)Nc1cccc(-c2cn3ccsc3n2)c1
InChIInChI=1S/C15H15N3OS/c1-2-4-14(19)16-12-6-3-5-11(9-12)13-10-18-7-8-20-15(18)17-13/h3,5-10H,2,4H2,1H3,(H,16,19)
InChIKeyGSAMIDYKOPEHCV-UHFFFAOYSA-N
XLogP3.80
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)butanamide?
The IUPAC name of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)butanamide (CID 752439) is N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)butanamide.
What is the SMILES notation for N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)butanamide?
The canonical SMILES for N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)butanamide is CCCC(=O)Nc1cccc(-c2cn3ccsc3n2)c1.
What is the InChIKey of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)butanamide?
The InChIKey is GSAMIDYKOPEHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-2-4-14(19)16-12-6-3-5-11(9-12)13-10-18-7-8-20-15(18)17-13/h3,5-10H,2,4H2,1H3,(H,16,19).
What are the key properties of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)butanamide?
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)butanamide has a molecular weight of 285.37 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)butanamide is sourced from PubChem (CID 752439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).