N-(2-methoxyethyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

C16H14F3N3O2S — CID 134800055

IUPACN-(2-methoxyethyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCOCCNC(=O)c1nc2sccn2c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14F3N3O2S/c1-24-7-5-20-14(23)12-13(22-6-8-25-15(22)21-12)10-3-2-4-11(9-10)16(17,18)19/h2-4,6,8-9H,5,7H2,1H3,(H,20,23)
InChIKeySEXDMAPJAPQBHR-UHFFFAOYSA-N
MW369.37 g/mol
LogP3.46
Rot. Bonds5

About N-(2-methoxyethyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

N-(2-methoxyethyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 134800055) has the molecular formula C16H14F3N3O2S and a molecular weight of 369.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID134800055
Molecular FormulaC16H14F3N3O2S
Molecular Weight369.37 g/mol
Exact Mass369.08
IUPAC NameN-(2-methoxyethyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCOCCNC(=O)c1nc2sccn2c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14F3N3O2S/c1-24-7-5-20-14(23)12-13(22-6-8-25-15(22)21-12)10-3-2-4-11(9-10)16(17,18)19/h2-4,6,8-9H,5,7H2,1H3,(H,20,23)
InChIKeySEXDMAPJAPQBHR-UHFFFAOYSA-N
XLogP3.46
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134797818
N-(3-methoxypropyl)-5-pyridin-3-ylimidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134797519
5-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134800035
N-(2-phenylethyl)-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134799295
5-(3-methoxyphenyl)-N-(3-phenylpropyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134795862
N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 6472271
N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262
N-(3-methoxypropyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 9120331
5-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134800225
dimethyl 2,6-dimethyl-4-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyridine-3,5-dicarboxylate
CID 24823572
N-[2-(2-fluorophenyl)ethyl]-5-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134797411
N-(3-methoxypropyl)-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19265646

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 134800055) is N-(2-methoxyethyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is COCCNC(=O)c1nc2sccn2c1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-methoxyethyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is SEXDMAPJAPQBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O2S/c1-24-7-5-20-14(23)12-13(22-6-8-25-15(22)21-12)10-3-2-4-11(9-10)16(17,18)19/h2-4,6,8-9H,5,7H2,1H3,(H,20,23).
What are the key properties of N-(2-methoxyethyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-(2-methoxyethyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 369.37 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 134800055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).