N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

C18H21FN4OS — CID 16673658

IUPACN-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESCN(C)CCN(Cc1ccccc1F)C(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C18H21FN4OS/c1-21(2)7-8-22(12-14-5-3-4-6-16(14)19)17(24)11-15-13-23-9-10-25-18(23)20-15/h3-6,9-10,13H,7-8,11-12H2,1-2H3
InChIKeyARVHWRKIIBKTSK-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.67
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (PubChem CID 16673658) has the molecular formula C18H21FN4OS and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
PubChem CID16673658
Molecular FormulaC18H21FN4OS
Molecular Weight360.46 g/mol
Exact Mass360.14
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESCN(C)CCN(Cc1ccccc1F)C(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C18H21FN4OS/c1-21(2)7-8-22(12-14-5-3-4-6-16(14)19)17(24)11-15-13-23-9-10-25-18(23)20-15/h3-6,9-10,13H,7-8,11-12H2,1-2H3
InChIKeyARVHWRKIIBKTSK-UHFFFAOYSA-N
XLogP2.67
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 134047252
1-(2-fluorophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylpropan-2-amine
CID 114833688
N-(2-hydroxyethyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2-phenylethyl)acetamide
CID 111122119
N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 60559227
N-(2-hydroxyethyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 103915385
N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135788199
2-[(2-fluorophenyl)methyl]-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine
CID 115334246
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-N-[2-(2-methylphenoxy)ethyl]acetamide
CID 31670556
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 31645281
(E)-N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-3-phenylprop-2-enamide
CID 52726416
[2-(2-fluorophenyl)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 23879269
N-[(2-fluorophenyl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 110851231

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (CID 16673658) is N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is CN(C)CCN(Cc1ccccc1F)C(=O)Cc1cn2ccsc2n1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The InChIKey is ARVHWRKIIBKTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4OS/c1-21(2)7-8-22(12-14-5-3-4-6-16(14)19)17(24)11-15-13-23-9-10-25-18(23)20-15/h3-6,9-10,13H,7-8,11-12H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide has a molecular weight of 360.46 g/mol, XLogP of 2.67, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is sourced from PubChem (CID 16673658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).