(4-benzylpiperidin-1-yl)-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone

C24H22FN3OS — CID 42270347

IUPAC(4-benzylpiperidin-1-yl)-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone
SMILESO=C(c1csc2nc(-c3ccc(F)cc3)cn12)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C24H22FN3OS/c25-20-8-6-19(7-9-20)21-15-28-22(16-30-24(28)26-21)23(29)27-12-10-18(11-13-27)14-17-4-2-1-3-5-17/h1-9,15-16,18H,10-14H2
InChIKeyOKHVXMWCFMBSAC-UHFFFAOYSA-N
MW419.53 g/mol
LogP5.30
Rot. Bonds4

About (4-benzylpiperidin-1-yl)-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone

(4-benzylpiperidin-1-yl)-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone (PubChem CID 42270347) has the molecular formula C24H22FN3OS and a molecular weight of 419.53 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone
PubChem CID42270347
Molecular FormulaC24H22FN3OS
Molecular Weight419.53 g/mol
Exact Mass419.15
IUPAC Name(4-benzylpiperidin-1-yl)-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone
SMILESO=C(c1csc2nc(-c3ccc(F)cc3)cn12)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C24H22FN3OS/c25-20-8-6-19(7-9-20)21-15-28-22(16-30-24(28)26-21)23(29)27-12-10-18(11-13-27)14-17-4-2-1-3-5-17/h1-9,15-16,18H,10-14H2
InChIKeyOKHVXMWCFMBSAC-UHFFFAOYSA-N
XLogP5.30
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.53
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 42269953
1-(6-phenylimidazo[2,1-b][1,3]thiazole-3-carbonyl)piperidine-4-carboxamide
CID 42270233
N,N-dibenzyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270462
(4-benzylpiperazin-1-yl)-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone
CID 29356769
[(4R)-4-phenylazepan-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)methanone
CID 42290467
[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 119073846
(4-benzylpiperidin-1-yl)-[2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]methanone
CID 22523470
[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-pyrrolidin-1-ylmethanone
CID 42271654
(4-benzylpiperidin-1-yl)-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]methanone
CID 1427980
1-(4-benzylpiperidin-1-yl)-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone
CID 29044557
methyl (2S)-2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-3-phenylpropanoate
CID 42457098
ethyl 4-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]piperazine-1-carboxylate
CID 42271685

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone (CID 42270347) is (4-benzylpiperidin-1-yl)-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone is O=C(c1csc2nc(-c3ccc(F)cc3)cn12)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone?
The InChIKey is OKHVXMWCFMBSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3OS/c25-20-8-6-19(7-9-20)21-15-28-22(16-30-24(28)26-21)23(29)27-12-10-18(11-13-27)14-17-4-2-1-3-5-17/h1-9,15-16,18H,10-14H2.
What are the key properties of (4-benzylpiperidin-1-yl)-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone?
(4-benzylpiperidin-1-yl)-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone has a molecular weight of 419.53 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone is sourced from PubChem (CID 42270347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).