N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-phenylbutanamide

C23H22FN3OS — CID 90547365

IUPACN-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCc1sc2nc(-c3ccc(F)cc3)cn2c1C)c1ccccc1
InChIInChI=1S/C23H22FN3OS/c1-3-19(16-7-5-4-6-8-16)22(28)25-13-21-15(2)27-14-20(26-23(27)29-21)17-9-11-18(24)12-10-17/h4-12,14,19H,3,13H2,1-2H3,(H,25,28)
InChIKeyLSMLSBYIOGYAPI-UHFFFAOYSA-N
MW407.51 g/mol
LogP5.32
Rot. Bonds6

About N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-phenylbutanamide

N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-phenylbutanamide (PubChem CID 90547365) has the molecular formula C23H22FN3OS and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-phenylbutanamide
PubChem CID90547365
Molecular FormulaC23H22FN3OS
Molecular Weight407.51 g/mol
Exact Mass407.15
IUPAC NameN-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCc1sc2nc(-c3ccc(F)cc3)cn2c1C)c1ccccc1
InChIInChI=1S/C23H22FN3OS/c1-3-19(16-7-5-4-6-8-16)22(28)25-13-21-15(2)27-14-20(26-23(27)29-21)17-9-11-18(24)12-10-17/h4-12,14,19H,3,13H2,1-2H3,(H,25,28)
InChIKeyLSMLSBYIOGYAPI-UHFFFAOYSA-N
XLogP5.32
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.51
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethylphenyl)-3-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]urea
CID 90547611
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 90547564
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-phenylbutanamide
CID 122262795
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-(4-methylphenyl)acetamide
CID 90547458
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-(2-nitrophenyl)acetamide
CID 90547555
1-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-3-thiophen-2-ylurea
CID 71795881
2-(2,5-dimethylphenoxy)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]propanamide
CID 90547428
3,4-difluoro-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]benzamide
CID 90547443
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 90547451
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 91939242
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 90547400
2-(4-chlorophenoxy)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]acetamide
CID 90547335

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-phenylbutanamide?
The IUPAC name of N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-phenylbutanamide (CID 90547365) is N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-phenylbutanamide.
What is the SMILES notation for N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-phenylbutanamide?
The canonical SMILES for N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-phenylbutanamide is CCC(C(=O)NCc1sc2nc(-c3ccc(F)cc3)cn2c1C)c1ccccc1.
What is the InChIKey of N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-phenylbutanamide?
The InChIKey is LSMLSBYIOGYAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3OS/c1-3-19(16-7-5-4-6-8-16)22(28)25-13-21-15(2)27-14-20(26-23(27)29-21)17-9-11-18(24)12-10-17/h4-12,14,19H,3,13H2,1-2H3,(H,25,28).
What are the key properties of N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-phenylbutanamide?
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-phenylbutanamide has a molecular weight of 407.51 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-phenylbutanamide is sourced from PubChem (CID 90547365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).