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

C22H21FN4OS — CID 90547611

IUPAC1-(2-ethylphenyl)-3-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]urea
SMILESCCc1ccccc1NC(=O)NCc1sc2nc(-c3ccc(F)cc3)cn2c1C
InChIInChI=1S/C22H21FN4OS/c1-3-15-6-4-5-7-18(15)25-21(28)24-12-20-14(2)27-13-19(26-22(27)29-20)16-8-10-17(23)11-9-16/h4-11,13H,3,12H2,1-2H3,(H2,24,25,28)
InChIKeyRNXYRIJYEJIZJZ-UHFFFAOYSA-N
MW408.50 g/mol
LogP5.39
Rot. Bonds5

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

1-(2-ethylphenyl)-3-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]urea (PubChem CID 90547611) has the molecular formula C22H21FN4OS and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-3-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]urea.

Molecular Properties

Compound Name1-(2-ethylphenyl)-3-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]urea
PubChem CID90547611
Molecular FormulaC22H21FN4OS
Molecular Weight408.50 g/mol
Exact Mass408.14
IUPAC Name1-(2-ethylphenyl)-3-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]urea
SMILESCCc1ccccc1NC(=O)NCc1sc2nc(-c3ccc(F)cc3)cn2c1C
InChIInChI=1S/C22H21FN4OS/c1-3-15-6-4-5-7-18(15)25-21(28)24-12-20-14(2)27-13-19(26-22(27)29-20)16-8-10-17(23)11-9-16/h4-11,13H,3,12H2,1-2H3,(H2,24,25,28)
InChIKeyRNXYRIJYEJIZJZ-UHFFFAOYSA-N
XLogP5.39
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 90547614
1-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-3-thiophen-2-ylurea
CID 71795881
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-phenylbutanamide
CID 90547365
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
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 90547564
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-(2-fluorophenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 20861701
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 1-(2-ethylphenyl)-3-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]urea?
The IUPAC name of 1-(2-ethylphenyl)-3-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]urea (CID 90547611) is 1-(2-ethylphenyl)-3-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]urea.
What is the SMILES notation for 1-(2-ethylphenyl)-3-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]urea?
The canonical SMILES for 1-(2-ethylphenyl)-3-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]urea is CCc1ccccc1NC(=O)NCc1sc2nc(-c3ccc(F)cc3)cn2c1C.
What is the InChIKey of 1-(2-ethylphenyl)-3-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]urea?
The InChIKey is RNXYRIJYEJIZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4OS/c1-3-15-6-4-5-7-18(15)25-21(28)24-12-20-14(2)27-13-19(26-22(27)29-20)16-8-10-17(23)11-9-16/h4-11,13H,3,12H2,1-2H3,(H2,24,25,28).
What are the key properties of 1-(2-ethylphenyl)-3-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]urea?
1-(2-ethylphenyl)-3-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]urea has a molecular weight of 408.50 g/mol, XLogP of 5.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-3-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]urea is sourced from PubChem (CID 90547611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).