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

C24H24N4OS — CID 29356769

IUPAC(4-benzylpiperazin-1-yl)-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone
SMILESCc1ccc(-c2cn3c(C(=O)N4CCN(Cc5ccccc5)CC4)csc3n2)cc1
InChIInChI=1S/C24H24N4OS/c1-18-7-9-20(10-8-18)21-16-28-22(17-30-24(28)25-21)23(29)27-13-11-26(12-14-27)15-19-5-3-2-4-6-19/h2-10,16-17H,11-15H2,1H3
InChIKeyHMFLANZWLNEKCZ-UHFFFAOYSA-N
MW416.55 g/mol
LogP4.33
Rot. Bonds4

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

(4-benzylpiperazin-1-yl)-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone (PubChem CID 29356769) has the molecular formula C24H24N4OS and a molecular weight of 416.55 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone
PubChem CID29356769
Molecular FormulaC24H24N4OS
Molecular Weight416.55 g/mol
Exact Mass416.17
IUPAC Name(4-benzylpiperazin-1-yl)-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone
SMILESCc1ccc(-c2cn3c(C(=O)N4CCN(Cc5ccccc5)CC4)csc3n2)cc1
InChIInChI=1S/C24H24N4OS/c1-18-7-9-20(10-8-18)21-16-28-22(17-30-24(28)25-21)23(29)27-13-11-26(12-14-27)15-19-5-3-2-4-6-19/h2-10,16-17H,11-15H2,1H3
InChIKeyHMFLANZWLNEKCZ-UHFFFAOYSA-N
XLogP4.33
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-pyrrolidin-1-ylmethanone
CID 42271654
ethyl 4-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]piperazine-1-carboxylate
CID 42271685
(4-benzylpiperidin-1-yl)-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone
CID 42270347
1-(6-phenylimidazo[2,1-b][1,3]thiazole-3-carbonyl)piperidine-4-carboxamide
CID 42270233
[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-(1,2-oxazolidin-2-yl)methanone
CID 25287122
[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 42270017
[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 42269953
N-[4-[3-(piperidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]acetamide
CID 50839374
[(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]thiazole-3-carboxylic acid
CID 25219646
(4-benzylpiperazin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 59382180
[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 119073846

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone (CID 29356769) is (4-benzylpiperazin-1-yl)-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone is Cc1ccc(-c2cn3c(C(=O)N4CCN(Cc5ccccc5)CC4)csc3n2)cc1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone?
The InChIKey is HMFLANZWLNEKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4OS/c1-18-7-9-20(10-8-18)21-16-28-22(17-30-24(28)25-21)23(29)27-13-11-26(12-14-27)15-19-5-3-2-4-6-19/h2-10,16-17H,11-15H2,1H3.
What are the key properties of (4-benzylpiperazin-1-yl)-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone?
(4-benzylpiperazin-1-yl)-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone has a molecular weight of 416.55 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone is sourced from PubChem (CID 29356769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).