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

C20H23FN4O3S2 — CID 90547452

IUPACN-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCc1c(CNC(=O)C2CCN(S(C)(=O)=O)CC2)sc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C20H23FN4O3S2/c1-13-18(11-22-19(26)15-7-9-24(10-8-15)30(2,27)28)29-20-23-17(12-25(13)20)14-3-5-16(21)6-4-14/h3-6,12,15H,7-11H2,1-2H3,(H,22,26)
InChIKeyLEBSQCMYMGSZEY-UHFFFAOYSA-N
MW450.56 g/mol
LogP2.80
Rot. Bonds5

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

N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 90547452) has the molecular formula C20H23FN4O3S2 and a molecular weight of 450.56 g/mol. Its IUPAC name is N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID90547452
Molecular FormulaC20H23FN4O3S2
Molecular Weight450.56 g/mol
Exact Mass450.12
IUPAC NameN-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCc1c(CNC(=O)C2CCN(S(C)(=O)=O)CC2)sc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C20H23FN4O3S2/c1-13-18(11-22-19(26)15-7-9-24(10-8-15)30(2,27)28)29-20-23-17(12-25(13)20)14-3-5-16(21)6-4-14/h3-6,12,15H,7-11H2,1-2H3,(H,22,26)
InChIKeyLEBSQCMYMGSZEY-UHFFFAOYSA-N
XLogP2.80
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]oxolane-2-carboxamide
CID 97042286
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 90547451
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 90547400
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 121122676
2,3-dichloro-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]benzenesulfonamide
CID 90547700
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 90547375
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 90547564
1-(2-ethylphenyl)-3-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]urea
CID 90547611
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-(6-oxopyrimidin-1-yl)acetamide
CID 90547533
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,4-dimethylbenzenesulfonamide
CID 90547654
1-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 90547614
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 91939242

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-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 90547452) is N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide is Cc1c(CNC(=O)C2CCN(S(C)(=O)=O)CC2)sc2nc(-c3ccc(F)cc3)cn12.
What is the InChIKey of N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is LEBSQCMYMGSZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O3S2/c1-13-18(11-22-19(26)15-7-9-24(10-8-15)30(2,27)28)29-20-23-17(12-25(13)20)14-3-5-16(21)6-4-14/h3-6,12,15H,7-11H2,1-2H3,(H,22,26).
What are the key properties of N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 450.56 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 90547452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).