N-[[3-(4-fluorophenoxy)phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide

C21H18FN3O2S — CID 118264350

IUPACN-[[3-(4-fluorophenoxy)phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1cn2c(C(=O)NCc3cccc(Oc4ccc(F)cc4)c3)c(C)nc2s1
InChIInChI=1S/C21H18FN3O2S/c1-13-12-25-19(14(2)24-21(25)28-13)20(26)23-11-15-4-3-5-18(10-15)27-17-8-6-16(22)7-9-17/h3-10,12H,11H2,1-2H3,(H,23,26)
InChIKeyUYBQOXKNXKZJTA-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.87
Rot. Bonds5

About N-[[3-(4-fluorophenoxy)phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide

N-[[3-(4-fluorophenoxy)phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 118264350) has the molecular formula C21H18FN3O2S and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[[3-(4-fluorophenoxy)phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[3-(4-fluorophenoxy)phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID118264350
Molecular FormulaC21H18FN3O2S
Molecular Weight395.46 g/mol
Exact Mass395.11
IUPAC NameN-[[3-(4-fluorophenoxy)phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1cn2c(C(=O)NCc3cccc(Oc4ccc(F)cc4)c3)c(C)nc2s1
InChIInChI=1S/C21H18FN3O2S/c1-13-12-25-19(14(2)24-21(25)28-13)20(26)23-11-15-4-3-5-18(10-15)27-17-8-6-16(22)7-9-17/h3-10,12H,11H2,1-2H3,(H,23,26)
InChIKeyUYBQOXKNXKZJTA-UHFFFAOYSA-N
XLogP4.87
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dimethyl-N-[[3-(pentafluoro-λ6-sulfanyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 126710479
2,6-dimethyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 118267882
6-ethyl-2-methyl-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 118264342
6-ethyl-N-[[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]methyl]-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 118264355
2-methyl-N-[(1-methylindol-5-yl)methyl]-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 118264369
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 118264310
N-[[4-(4-fluorophenoxy)phenyl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 26999138
2,6-dimethyl-N-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 121274322
2-chloro-N-[(3-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 91820954
N-[(3-methoxyphenyl)methyl]-2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 20901058
2-fluoro-6-methyl-N-[[4-(4-oxopiperidin-1-yl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 135193987
2-[3-(4-fluorophenoxy)phenyl]acetic acid
CID 138754182

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-fluorophenoxy)phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of N-[[3-(4-fluorophenoxy)phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 118264350) is N-[[3-(4-fluorophenoxy)phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-[[3-(4-fluorophenoxy)phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-[[3-(4-fluorophenoxy)phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1cn2c(C(=O)NCc3cccc(Oc4ccc(F)cc4)c3)c(C)nc2s1.
What is the InChIKey of N-[[3-(4-fluorophenoxy)phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is UYBQOXKNXKZJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2S/c1-13-12-25-19(14(2)24-21(25)28-13)20(26)23-11-15-4-3-5-18(10-15)27-17-8-6-16(22)7-9-17/h3-10,12H,11H2,1-2H3,(H,23,26).
What are the key properties of N-[[3-(4-fluorophenoxy)phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
N-[[3-(4-fluorophenoxy)phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-fluorophenoxy)phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 118264350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).