N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide

C24H25FN6OS — CID 90547586

IUPACN-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCc1ccc(N2CCCC(C(=O)NCc3sc4nc(-c5ccc(F)cc5)cn4c3C)C2)nn1
InChIInChI=1S/C24H25FN6OS/c1-15-5-10-22(29-28-15)30-11-3-4-18(13-30)23(32)26-12-21-16(2)31-14-20(27-24(31)33-21)17-6-8-19(25)9-7-17/h5-10,14,18H,3-4,11-13H2,1-2H3,(H,26,32)
InChIKeyBHVFESLDCJSNTK-UHFFFAOYSA-N
MW464.57 g/mol
LogP4.14
Rot. Bonds5

About N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide

N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 90547586) has the molecular formula C24H25FN6OS and a molecular weight of 464.57 g/mol. Its IUPAC name is N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
PubChem CID90547586
Molecular FormulaC24H25FN6OS
Molecular Weight464.57 g/mol
Exact Mass464.18
IUPAC NameN-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCc1ccc(N2CCCC(C(=O)NCc3sc4nc(-c5ccc(F)cc5)cn4c3C)C2)nn1
InChIInChI=1S/C24H25FN6OS/c1-15-5-10-22(29-28-15)30-11-3-4-18(13-30)23(32)26-12-21-16(2)31-14-20(27-24(31)33-21)17-6-8-19(25)9-7-17/h5-10,14,18H,3-4,11-13H2,1-2H3,(H,26,32)
InChIKeyBHVFESLDCJSNTK-UHFFFAOYSA-N
XLogP4.14
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide (CID 90547586) is N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide is Cc1ccc(N2CCCC(C(=O)NCc3sc4nc(-c5ccc(F)cc5)cn4c3C)C2)nn1.
What is the InChIKey of N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is BHVFESLDCJSNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6OS/c1-15-5-10-22(29-28-15)30-11-3-4-18(13-30)23(32)26-12-21-16(2)31-14-20(27-24(31)33-21)17-6-8-19(25)9-7-17/h5-10,14,18H,3-4,11-13H2,1-2H3,(H,26,32).
What are the key properties of N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide?
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 464.57 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 90547586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).