1-(4-fluorobenzoyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]piperidine-4-carboxamide

C24H20F2N4O2S — CID 55382648

IUPAC1-(4-fluorobenzoyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]piperidine-4-carboxamide
SMILESO=C(Nc1c(-c2ccc(F)cc2)nc2sccn12)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H20F2N4O2S/c25-18-5-1-15(2-6-18)20-21(30-13-14-33-24(30)27-20)28-22(31)16-9-11-29(12-10-16)23(32)17-3-7-19(26)8-4-17/h1-8,13-14,16H,9-12H2,(H,28,31)
InChIKeyORKWZFXKKLWJOS-UHFFFAOYSA-N
MW466.51 g/mol
LogP4.83
Rot. Bonds4

About 1-(4-fluorobenzoyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]piperidine-4-carboxamide

1-(4-fluorobenzoyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]piperidine-4-carboxamide (PubChem CID 55382648) has the molecular formula C24H20F2N4O2S and a molecular weight of 466.51 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]piperidine-4-carboxamide
PubChem CID55382648
Molecular FormulaC24H20F2N4O2S
Molecular Weight466.51 g/mol
Exact Mass466.13
IUPAC Name1-(4-fluorobenzoyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]piperidine-4-carboxamide
SMILESO=C(Nc1c(-c2ccc(F)cc2)nc2sccn12)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H20F2N4O2S/c25-18-5-1-15(2-6-18)20-21(30-13-14-33-24(30)27-20)28-22(31)16-9-11-29(12-10-16)23(32)17-3-7-19(26)8-4-17/h1-8,13-14,16H,9-12H2,(H,28,31)
InChIKeyORKWZFXKKLWJOS-UHFFFAOYSA-N
XLogP4.83
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.51
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95786556
N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-methylpropanamide
CID 17415628
[4-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 42811168
N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 55382472
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 38324789
[5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone
CID 134796220
1-(4-chlorobenzoyl)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 26291713
1-(4-fluorobenzoyl)-N-quinolin-8-ylpiperidine-4-carboxamide
CID 26123213
4-(4-bromopyrazol-1-yl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]benzamide
CID 55668838
1-(4-fluorobenzoyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 46513393
N-(4-chloro-2-fluorophenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 7961244
N-(2,3-dichlorophenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 1327552

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-fluorobenzoyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]piperidine-4-carboxamide (CID 55382648) is 1-(4-fluorobenzoyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]piperidine-4-carboxamide is O=C(Nc1c(-c2ccc(F)cc2)nc2sccn12)C1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorobenzoyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]piperidine-4-carboxamide?
The InChIKey is ORKWZFXKKLWJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O2S/c25-18-5-1-15(2-6-18)20-21(30-13-14-33-24(30)27-20)28-22(31)16-9-11-29(12-10-16)23(32)17-3-7-19(26)8-4-17/h1-8,13-14,16H,9-12H2,(H,28,31).
What are the key properties of 1-(4-fluorobenzoyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]piperidine-4-carboxamide?
1-(4-fluorobenzoyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]piperidine-4-carboxamide has a molecular weight of 466.51 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]piperidine-4-carboxamide is sourced from PubChem (CID 55382648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).