6-(2-fluorophenyl)-N-methyl-N-(1-pyridin-3-ylpropyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

C21H19FN4OS — CID 56710524

IUPAC6-(2-fluorophenyl)-N-methyl-N-(1-pyridin-3-ylpropyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCCC(c1cccnc1)N(C)C(=O)c1csc2nc(-c3ccccc3F)cn12
InChIInChI=1S/C21H19FN4OS/c1-3-18(14-7-6-10-23-11-14)25(2)20(27)19-13-28-21-24-17(12-26(19)21)15-8-4-5-9-16(15)22/h4-13,18H,3H2,1-2H3
InChIKeyYUIISIHWWZBZKQ-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.82
Rot. Bonds5

About 6-(2-fluorophenyl)-N-methyl-N-(1-pyridin-3-ylpropyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

6-(2-fluorophenyl)-N-methyl-N-(1-pyridin-3-ylpropyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 56710524) has the molecular formula C21H19FN4OS and a molecular weight of 394.48 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-N-methyl-N-(1-pyridin-3-ylpropyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name6-(2-fluorophenyl)-N-methyl-N-(1-pyridin-3-ylpropyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID56710524
Molecular FormulaC21H19FN4OS
Molecular Weight394.48 g/mol
Exact Mass394.13
IUPAC Name6-(2-fluorophenyl)-N-methyl-N-(1-pyridin-3-ylpropyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCCC(c1cccnc1)N(C)C(=O)c1csc2nc(-c3ccccc3F)cn12
InChIInChI=1S/C21H19FN4OS/c1-3-18(14-7-6-10-23-11-14)25(2)20(27)19-13-28-21-24-17(12-26(19)21)15-8-4-5-9-16(15)22/h4-13,18H,3H2,1-2H3
InChIKeyYUIISIHWWZBZKQ-UHFFFAOYSA-N
XLogP4.82
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-fluorophenyl)-N-methyl-N-[(1S)-1-pyridin-3-ylpropyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 95226358
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
6-(2-chlorophenyl)-N-[(2S)-2-(dimethylamino)butyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 95195402
6-(2-methoxyphenyl)-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 95189802
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
N-methyl-2-(methylamino)-N-(1-pyridin-3-ylpropyl)pyridine-3-carboxamide
CID 74248524
3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-propylpropanamide
CID 30940092
6-(2-chlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42530318
3-(4,6-dimethyl-2-pyridinyl)-N-methyl-N-[(1R)-1-pyridin-3-ylpropyl]benzamide
CID 125155931
N-[(1-ethylimidazol-2-yl)methyl]-6-(2-methoxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 56706835
N-butyl-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide
CID 30940095
N,2,5-trimethyl-1-phenyl-N-(1-pyridin-3-ylpropyl)pyrrole-3-carboxamide
CID 77084067

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-N-methyl-N-(1-pyridin-3-ylpropyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 6-(2-fluorophenyl)-N-methyl-N-(1-pyridin-3-ylpropyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 56710524) is 6-(2-fluorophenyl)-N-methyl-N-(1-pyridin-3-ylpropyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 6-(2-fluorophenyl)-N-methyl-N-(1-pyridin-3-ylpropyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 6-(2-fluorophenyl)-N-methyl-N-(1-pyridin-3-ylpropyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is CCC(c1cccnc1)N(C)C(=O)c1csc2nc(-c3ccccc3F)cn12.
What is the InChIKey of 6-(2-fluorophenyl)-N-methyl-N-(1-pyridin-3-ylpropyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is YUIISIHWWZBZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4OS/c1-3-18(14-7-6-10-23-11-14)25(2)20(27)19-13-28-21-24-17(12-26(19)21)15-8-4-5-9-16(15)22/h4-13,18H,3H2,1-2H3.
What are the key properties of 6-(2-fluorophenyl)-N-methyl-N-(1-pyridin-3-ylpropyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
6-(2-fluorophenyl)-N-methyl-N-(1-pyridin-3-ylpropyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-N-methyl-N-(1-pyridin-3-ylpropyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 56710524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).