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

C29H27N3OS — CID 22523470

IUPAC(4-benzylpiperidin-1-yl)-[2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]methanone
SMILESCc1ccc(-c2cn3c(n2)sc2cc(C(=O)N4CCC(Cc5ccccc5)CC4)ccc23)cc1
InChIInChI=1S/C29H27N3OS/c1-20-7-9-23(10-8-20)25-19-32-26-12-11-24(18-27(26)34-29(32)30-25)28(33)31-15-13-22(14-16-31)17-21-5-3-2-4-6-21/h2-12,18-19,22H,13-17H2,1H3
InChIKeyULFCBSNSVSYOPI-UHFFFAOYSA-N
MW465.62 g/mol
LogP6.62
Rot. Bonds4

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

(4-benzylpiperidin-1-yl)-[2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]methanone (PubChem CID 22523470) has the molecular formula C29H27N3OS and a molecular weight of 465.62 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]methanone
PubChem CID22523470
Molecular FormulaC29H27N3OS
Molecular Weight465.62 g/mol
Exact Mass465.19
IUPAC Name(4-benzylpiperidin-1-yl)-[2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]methanone
SMILESCc1ccc(-c2cn3c(n2)sc2cc(C(=O)N4CCC(Cc5ccccc5)CC4)ccc23)cc1
InChIInChI=1S/C29H27N3OS/c1-20-7-9-23(10-8-20)25-19-32-26-12-11-24(18-27(26)34-29(32)30-25)28(33)31-15-13-22(14-16-31)17-21-5-3-2-4-6-21/h2-12,18-19,22H,13-17H2,1H3
InChIKeyULFCBSNSVSYOPI-UHFFFAOYSA-N
XLogP6.62
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.62
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-benzylpiperidin-1-yl)-[2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]methanone with MolForge

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Related Compounds

(2-phenylimidazo[2,1-b][1,3]benzothiazol-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 22523687
2-(3-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid
CID 164571656
[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-morpholin-4-ylmethanone
CID 22523538
N-ethyl-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523510
(4-benzylpiperidin-1-yl)-[2-(4-methylpiperidin-1-yl)-1,3-benzothiazol-6-yl]methanone
CID 20889717
(4-benzylpiperidin-1-yl)-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone
CID 42270347
N-(1-benzylpiperidin-4-yl)-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523576
2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid
CID 20886950
N-(2-methylcyclohexyl)-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523505
2-[4-(methylcarbamoyl)phenyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid
CID 164571923
N-(2,3-dimethylcyclohexyl)-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523506
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]methanone (CID 22523470) is (4-benzylpiperidin-1-yl)-[2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]methanone is Cc1ccc(-c2cn3c(n2)sc2cc(C(=O)N4CCC(Cc5ccccc5)CC4)ccc23)cc1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]methanone?
The InChIKey is ULFCBSNSVSYOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3OS/c1-20-7-9-23(10-8-20)25-19-32-26-12-11-24(18-27(26)34-29(32)30-25)28(33)31-15-13-22(14-16-31)17-21-5-3-2-4-6-21/h2-12,18-19,22H,13-17H2,1H3.
What are the key properties of (4-benzylpiperidin-1-yl)-[2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]methanone?
(4-benzylpiperidin-1-yl)-[2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]methanone has a molecular weight of 465.62 g/mol, XLogP of 6.62, 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)-[2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]methanone is sourced from PubChem (CID 22523470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).