N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-methylbutanamide

C16H16FN3OS — CID 46511311

IUPACN-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1c(-c2ccc(F)cc2)nc2sccn12
InChIInChI=1S/C16H16FN3OS/c1-3-10(2)15(21)19-14-13(11-4-6-12(17)7-5-11)18-16-20(14)8-9-22-16/h4-10H,3H2,1-2H3,(H,19,21)
InChIKeyGSHXTGJGDOQIPQ-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.19
Rot. Bonds4

About N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-methylbutanamide

N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-methylbutanamide (PubChem CID 46511311) has the molecular formula C16H16FN3OS and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-methylbutanamide
PubChem CID46511311
Molecular FormulaC16H16FN3OS
Molecular Weight317.39 g/mol
Exact Mass317.10
IUPAC NameN-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1c(-c2ccc(F)cc2)nc2sccn12
InChIInChI=1S/C16H16FN3OS/c1-3-10(2)15(21)19-14-13(11-4-6-12(17)7-5-11)18-16-20(14)8-9-22-16/h4-10H,3H2,1-2H3,(H,19,21)
InChIKeyGSHXTGJGDOQIPQ-UHFFFAOYSA-N
XLogP4.19
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
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-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-methylbutanamide?
The IUPAC name of N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-methylbutanamide (CID 46511311) is N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-methylbutanamide.
What is the SMILES notation for N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-methylbutanamide?
The canonical SMILES for N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-methylbutanamide is CCC(C)C(=O)Nc1c(-c2ccc(F)cc2)nc2sccn12.
What is the InChIKey of N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-methylbutanamide?
The InChIKey is GSHXTGJGDOQIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3OS/c1-3-10(2)15(21)19-14-13(11-4-6-12(17)7-5-11)18-16-20(14)8-9-22-16/h4-10H,3H2,1-2H3,(H,19,21).
What are the key properties of N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-methylbutanamide?
N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-methylbutanamide has a molecular weight of 317.39 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-methylbutanamide is sourced from PubChem (CID 46511311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).