N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-(2-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide

C19H16FN5O2S — CID 56723544

IUPACN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-(2-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCN(Cc1nc(C2CC2)no1)C(=O)c1csc2nc(-c3ccccc3F)cn12
InChIInChI=1S/C19H16FN5O2S/c1-24(9-16-22-17(23-27-16)11-6-7-11)18(26)15-10-28-19-21-14(8-25(15)19)12-4-2-3-5-13(12)20/h2-5,8,10-11H,6-7,9H2,1H3
InChIKeyALKAIBDXKBPHAB-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.73
Rot. Bonds5

About N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-(2-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide

N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-(2-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 56723544) has the molecular formula C19H16FN5O2S and a molecular weight of 397.44 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-(2-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-(2-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID56723544
Molecular FormulaC19H16FN5O2S
Molecular Weight397.44 g/mol
Exact Mass397.10
IUPAC NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-(2-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCN(Cc1nc(C2CC2)no1)C(=O)c1csc2nc(-c3ccccc3F)cn12
InChIInChI=1S/C19H16FN5O2S/c1-24(9-16-22-17(23-27-16)11-6-7-11)18(26)15-10-28-19-21-14(8-25(15)19)12-4-2-3-5-13(12)20/h2-5,8,10-11H,6-7,9H2,1H3
InChIKeyALKAIBDXKBPHAB-UHFFFAOYSA-N
XLogP3.73
TPSA76.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42513190
6-(4-fluorophenyl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 56711679
6-(2-chlorophenyl)-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 25278725
6-(2-chlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42530318
6-(2,5-dimethylphenyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42290508
6-(2-fluorophenyl)-N-methyl-N-(1-pyridin-3-ylpropyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 56710524
6-(2-chlorophenyl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42512524
6-(2-chlorophenyl)-N-methyl-N-(2-morpholin-4-ylethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 28955168
N-methyl-6-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 31015741
N-[(1-ethylimidazol-2-yl)methyl]-6-(2-methoxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 56706835
6-(2-fluorophenyl)-N-[(3S,4S)-4-hydroxy-1-propan-2-ylpyrrolidin-3-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 56716149
6-(2-fluorophenyl)-N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 56701180

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-(2-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-(2-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 56723544) is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-(2-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-(2-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-(2-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide is CN(Cc1nc(C2CC2)no1)C(=O)c1csc2nc(-c3ccccc3F)cn12.
What is the InChIKey of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-(2-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is ALKAIBDXKBPHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2S/c1-24(9-16-22-17(23-27-16)11-6-7-11)18(26)15-10-28-19-21-14(8-25(15)19)12-4-2-3-5-13(12)20/h2-5,8,10-11H,6-7,9H2,1H3.
What are the key properties of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-(2-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-(2-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 397.44 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-(2-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 56723544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).