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

C16H17N3OS — CID 752440

IUPACN-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1cccc(-c2cn3ccsc3n2)c1
InChIInChI=1S/C16H17N3OS/c1-11(2)8-15(20)17-13-5-3-4-12(9-13)14-10-19-6-7-21-16(19)18-14/h3-7,9-11H,8H2,1-2H3,(H,17,20)
InChIKeyTXQYGLLOLNREPP-UHFFFAOYSA-N
MW299.40 g/mol
LogP4.05
Rot. Bonds4

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

N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbutanamide (PubChem CID 752440) 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)-3-methylbutanamide.

Molecular Properties

Compound NameN-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbutanamide
PubChem CID752440
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC NameN-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1cccc(-c2cn3ccsc3n2)c1
InChIInChI=1S/C16H17N3OS/c1-11(2)8-15(20)17-13-5-3-4-12(9-13)14-10-19-6-7-21-16(19)18-14/h3-7,9-11H,8H2,1-2H3,(H,17,20)
InChIKeyTXQYGLLOLNREPP-UHFFFAOYSA-N
XLogP4.05
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbutanamide?
The IUPAC name of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbutanamide (CID 752440) is N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbutanamide.
What is the SMILES notation for N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbutanamide?
The canonical SMILES for N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbutanamide is CC(C)CC(=O)Nc1cccc(-c2cn3ccsc3n2)c1.
What is the InChIKey of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbutanamide?
The InChIKey is TXQYGLLOLNREPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-11(2)8-15(20)17-13-5-3-4-12(9-13)14-10-19-6-7-21-16(19)18-14/h3-7,9-11H,8H2,1-2H3,(H,17,20).
What are the key properties of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbutanamide?
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbutanamide has a molecular weight of 299.40 g/mol, XLogP of 4.05, 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)-3-methylbutanamide is sourced from PubChem (CID 752440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).