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

C16H17N3OS — CID 3236945

IUPACN-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)pentanamide
SMILESCCCCC(=O)Nc1cccc(-c2cn3ccsc3n2)c1
InChIInChI=1S/C16H17N3OS/c1-2-3-7-15(20)17-13-6-4-5-12(10-13)14-11-19-8-9-21-16(19)18-14/h4-6,8-11H,2-3,7H2,1H3,(H,17,20)
InChIKeyKXUGDUAPTKXDCG-UHFFFAOYSA-N
MW299.40 g/mol
LogP4.19
Rot. Bonds5

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

N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)pentanamide (PubChem CID 3236945) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)pentanamide.

Molecular Properties

Compound NameN-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)pentanamide
PubChem CID3236945
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC NameN-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)pentanamide
SMILESCCCCC(=O)Nc1cccc(-c2cn3ccsc3n2)c1
InChIInChI=1S/C16H17N3OS/c1-2-3-7-15(20)17-13-6-4-5-12(10-13)14-11-19-8-9-21-16(19)18-14/h4-6,8-11H,2-3,7H2,1H3,(H,17,20)
InChIKeyKXUGDUAPTKXDCG-UHFFFAOYSA-N
XLogP4.19
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 54.19
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)pentanamide?
The IUPAC name of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)pentanamide (CID 3236945) is N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)pentanamide.
What is the SMILES notation for N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)pentanamide?
The canonical SMILES for N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)pentanamide is CCCCC(=O)Nc1cccc(-c2cn3ccsc3n2)c1.
What is the InChIKey of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)pentanamide?
The InChIKey is KXUGDUAPTKXDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-2-3-7-15(20)17-13-6-4-5-12(10-13)14-11-19-8-9-21-16(19)18-14/h4-6,8-11H,2-3,7H2,1H3,(H,17,20).
What are the key properties of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)pentanamide?
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)pentanamide has a molecular weight of 299.40 g/mol, XLogP of 4.19, 5 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)pentanamide is sourced from PubChem (CID 3236945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).