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

C14H13N3OS — CID 752432

IUPACN-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide
SMILESCCC(=O)Nc1cccc(-c2cn3ccsc3n2)c1
InChIInChI=1S/C14H13N3OS/c1-2-13(18)15-11-5-3-4-10(8-11)12-9-17-6-7-19-14(17)16-12/h3-9H,2H2,1H3,(H,15,18)
InChIKeyVHXXDIZTZORVTI-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.41
Rot. Bonds3

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

N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide (PubChem CID 752432) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide.

Molecular Properties

Compound NameN-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide
PubChem CID752432
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC NameN-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide
SMILESCCC(=O)Nc1cccc(-c2cn3ccsc3n2)c1
InChIInChI=1S/C14H13N3OS/c1-2-13(18)15-11-5-3-4-10(8-11)12-9-17-6-7-19-14(17)16-12/h3-9H,2H2,1H3,(H,15,18)
InChIKeyVHXXDIZTZORVTI-UHFFFAOYSA-N
XLogP3.41
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.41
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)propanamide?
The IUPAC name of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide (CID 752432) is N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide.
What is the SMILES notation for N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide?
The canonical SMILES for N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide is CCC(=O)Nc1cccc(-c2cn3ccsc3n2)c1.
What is the InChIKey of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide?
The InChIKey is VHXXDIZTZORVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-2-13(18)15-11-5-3-4-10(8-11)12-9-17-6-7-19-14(17)16-12/h3-9H,2H2,1H3,(H,15,18).
What are the key properties of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide?
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide has a molecular weight of 271.35 g/mol, XLogP of 3.41, 3 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)propanamide is sourced from PubChem (CID 752432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).