[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

C24H23FN4O2S — CID 5310418

IUPAC[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3sc4nc(-c5ccc(F)cc5)cn4c3C)CC2)cc1
InChIInChI=1S/C24H23FN4O2S/c1-16-22(32-24-26-21(15-29(16)24)17-3-5-18(25)6-4-17)23(30)28-13-11-27(12-14-28)19-7-9-20(31-2)10-8-19/h3-10,15H,11-14H2,1-2H3
InChIKeyAUNBYUZPJJOCGQ-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.48
Rot. Bonds4

About [6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 5310418) has the molecular formula C24H23FN4O2S and a molecular weight of 450.54 g/mol. Its IUPAC name is [6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID5310418
Molecular FormulaC24H23FN4O2S
Molecular Weight450.54 g/mol
Exact Mass450.15
IUPAC Name[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3sc4nc(-c5ccc(F)cc5)cn4c3C)CC2)cc1
InChIInChI=1S/C24H23FN4O2S/c1-16-22(32-24-26-21(15-29(16)24)17-3-5-18(25)6-4-17)23(30)28-13-11-27(12-14-28)19-7-9-20(31-2)10-8-19/h3-10,15H,11-14H2,1-2H3
InChIKeyAUNBYUZPJJOCGQ-UHFFFAOYSA-N
XLogP4.48
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 3238337
N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-3-(trifluoromethoxy)benzamide
CID 25232166
2-(4-methoxyanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 2307725
N-(1,3-benzodioxol-5-yl)-3-methyl-6-phenyl-2-imidazo[2,1-b]thiazolecarboxamide
CID 3236662
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 3239406
6-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 3241138
N-isopropyl-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 3241505
2-{[4-(2-Fluorophenyl)piperazin-1-yl]carbonyl}-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole
CID 3241564
6-(4-methoxyphenyl)-3-methyl-N-(6-methylpyridin-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 3242860
N-(5-acetamido-2-methoxyphenyl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 3244553
6-(4-methoxyphenyl)-N,3-dimethyl-2-imidazo[2,1-b]thiazolecarboxamide
CID 5158448
N-tert-butyl-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 5158449

Frequently Asked Questions

What is the IUPAC name of [6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (CID 5310418) is [6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is COc1ccc(N2CCN(C(=O)c3sc4nc(-c5ccc(F)cc5)cn4c3C)CC2)cc1.
What is the InChIKey of [6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is AUNBYUZPJJOCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2S/c1-16-22(32-24-26-21(15-29(16)24)17-3-5-18(25)6-4-17)23(30)28-13-11-27(12-14-28)19-7-9-20(31-2)10-8-19/h3-10,15H,11-14H2,1-2H3.
What are the key properties of [6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 450.54 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 5310418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).