6-(4-fluorophenyl)-N-methyl-N-[(1S)-1-pyridin-3-ylpropyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

C21H19FN4OS — CID 95226358

IUPAC6-(4-fluorophenyl)-N-methyl-N-[(1S)-1-pyridin-3-ylpropyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC[C@@H](c1cccnc1)N(C)C(=O)c1csc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C21H19FN4OS/c1-3-18(15-5-4-10-23-11-15)25(2)20(27)19-13-28-21-24-17(12-26(19)21)14-6-8-16(22)9-7-14/h4-13,18H,3H2,1-2H3/t18-/m0/s1
InChIKeyFWKLCKJZVGHDKF-SFHVURJKSA-N
MW394.48 g/mol
LogP4.82
Rot. Bonds5

About 6-(4-fluorophenyl)-N-methyl-N-[(1S)-1-pyridin-3-ylpropyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

6-(4-fluorophenyl)-N-methyl-N-[(1S)-1-pyridin-3-ylpropyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 95226358) has the molecular formula C21H19FN4OS and a molecular weight of 394.48 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-methyl-N-[(1S)-1-pyridin-3-ylpropyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-methyl-N-[(1S)-1-pyridin-3-ylpropyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID95226358
Molecular FormulaC21H19FN4OS
Molecular Weight394.48 g/mol
Exact Mass394.13
IUPAC Name6-(4-fluorophenyl)-N-methyl-N-[(1S)-1-pyridin-3-ylpropyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC[C@@H](c1cccnc1)N(C)C(=O)c1csc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C21H19FN4OS/c1-3-18(15-5-4-10-23-11-15)25(2)20(27)19-13-28-21-24-17(12-26(19)21)14-6-8-16(22)9-7-14/h4-13,18H,3H2,1-2H3/t18-/m0/s1
InChIKeyFWKLCKJZVGHDKF-SFHVURJKSA-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-(2-fluorophenyl)-N-methyl-N-(1-pyridin-3-ylpropyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 56710524
N,N-dibenzyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270462
N-butyl-6-(4-methoxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270495
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-(3-fluorophenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42595571
N-(3-ethoxypropyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270327
3-(4,6-dimethyl-2-pyridinyl)-N-methyl-N-[(1R)-1-pyridin-3-ylpropyl]benzamide
CID 125155931
N-ethyl-6-(4-methoxyphenyl)-N-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270700
N-methyl-2-(methylamino)-N-(1-pyridin-3-ylpropyl)pyridine-3-carboxamide
CID 74248524
N-[(2S)-1-(dimethylamino)butan-2-yl]-6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 95230924
6-(4-fluorophenyl)-3-pyridin-4-ylimidazo[2,1-b][1,3]thiazole
CID 54520416
methyl (2S)-2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-3-phenylpropanoate
CID 42457098

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-methyl-N-[(1S)-1-pyridin-3-ylpropyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-N-methyl-N-[(1S)-1-pyridin-3-ylpropyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 95226358) is 6-(4-fluorophenyl)-N-methyl-N-[(1S)-1-pyridin-3-ylpropyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-N-methyl-N-[(1S)-1-pyridin-3-ylpropyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-N-methyl-N-[(1S)-1-pyridin-3-ylpropyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is CC[C@@H](c1cccnc1)N(C)C(=O)c1csc2nc(-c3ccc(F)cc3)cn12.
What is the InChIKey of 6-(4-fluorophenyl)-N-methyl-N-[(1S)-1-pyridin-3-ylpropyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is FWKLCKJZVGHDKF-SFHVURJKSA-N. The full InChI is InChI=1S/C21H19FN4OS/c1-3-18(15-5-4-10-23-11-15)25(2)20(27)19-13-28-21-24-17(12-26(19)21)14-6-8-16(22)9-7-14/h4-13,18H,3H2,1-2H3/t18-/m0/s1.
What are the key properties of 6-(4-fluorophenyl)-N-methyl-N-[(1S)-1-pyridin-3-ylpropyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
6-(4-fluorophenyl)-N-methyl-N-[(1S)-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-(4-fluorophenyl)-N-methyl-N-[(1S)-1-pyridin-3-ylpropyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 95226358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).