N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

C18H18F2N4OS — CID 154878663

IUPACN-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(F)c(F)c2)CC1)c1cnc2sccn12
InChIInChI=1S/C18H18F2N4OS/c19-14-2-1-12(9-15(14)20)11-23-5-3-13(4-6-23)22-17(25)16-10-21-18-24(16)7-8-26-18/h1-2,7-10,13H,3-6,11H2,(H,22,25)
InChIKeyQILLPMGQLDKKNB-UHFFFAOYSA-N
MW376.43 g/mol
LogP3.07
Rot. Bonds4

About N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 154878663) has the molecular formula C18H18F2N4OS and a molecular weight of 376.43 g/mol. Its IUPAC name is N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID154878663
Molecular FormulaC18H18F2N4OS
Molecular Weight376.43 g/mol
Exact Mass376.12
IUPAC NameN-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(F)c(F)c2)CC1)c1cnc2sccn12
InChIInChI=1S/C18H18F2N4OS/c19-14-2-1-12(9-15(14)20)11-23-5-3-13(4-6-23)22-17(25)16-10-21-18-24(16)7-8-26-18/h1-2,7-10,13H,3-6,11H2,(H,22,25)
InChIKeyQILLPMGQLDKKNB-UHFFFAOYSA-N
XLogP3.07
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(4-fluoro-3-hydroxyphenyl)methyl]piperidin-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 175817458
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide
CID 55438177
1-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 119857361
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55949675
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-4-pyrazol-1-ylpyridine-2-carboxamide
CID 136526672
2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide
CID 119946714
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-4-propan-2-ylbenzamide
CID 55835804
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 55950311
3-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide;dihydrochloride
CID 119857402
1-benzyl-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 55836832
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-4-ethoxy-3-methoxybenzamide
CID 55837219
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide
CID 119857425

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 154878663) is N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is O=C(NC1CCN(Cc2ccc(F)c(F)c2)CC1)c1cnc2sccn12.
What is the InChIKey of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is QILLPMGQLDKKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4OS/c19-14-2-1-12(9-15(14)20)11-23-5-3-13(4-6-23)22-17(25)16-10-21-18-24(16)7-8-26-18/h1-2,7-10,13H,3-6,11H2,(H,22,25).
What are the key properties of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 376.43 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 154878663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).