N-(1-benzylpiperidin-4-yl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide

C24H28N4OS — CID 71800308

IUPACN-(1-benzylpiperidin-4-yl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
SMILESCc1ccc2nc(N3CC(C(=O)NC4CCN(Cc5ccccc5)CC4)C3)sc2c1
InChIInChI=1S/C24H28N4OS/c1-17-7-8-21-22(13-17)30-24(26-21)28-15-19(16-28)23(29)25-20-9-11-27(12-10-20)14-18-5-3-2-4-6-18/h2-8,13,19-20H,9-12,14-16H2,1H3,(H,25,29)
InChIKeyHPNCAXJVGKWWIO-UHFFFAOYSA-N
MW420.58 g/mol
LogP3.82
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide

N-(1-benzylpiperidin-4-yl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide (PubChem CID 71800308) has the molecular formula C24H28N4OS and a molecular weight of 420.58 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
PubChem CID71800308
Molecular FormulaC24H28N4OS
Molecular Weight420.58 g/mol
Exact Mass420.20
IUPAC NameN-(1-benzylpiperidin-4-yl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
SMILESCc1ccc2nc(N3CC(C(=O)NC4CCN(Cc5ccccc5)CC4)C3)sc2c1
InChIInChI=1S/C24H28N4OS/c1-17-7-8-21-22(13-17)30-24(26-21)28-15-19(16-28)23(29)25-20-9-11-27(12-10-20)14-18-5-3-2-4-6-18/h2-8,13,19-20H,9-12,14-16H2,1H3,(H,25,29)
InChIKeyHPNCAXJVGKWWIO-UHFFFAOYSA-N
XLogP3.82
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylpiperidin-4-yl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 20883827
(2S,6R)-N-(1-benzylpiperidin-4-yl)-2,6-dimethyl-4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazine-1-carboxamide
CID 166704423
N-(1-benzylpiperidin-4-yl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
CID 20892964
N-(3,4-dichlorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128234
N-(3,3-diphenylpropyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90611269
1-(6-methyl-1,3-benzothiazol-2-yl)-N-pentylazetidine-3-carboxamide
CID 121128178
(4-benzylpiperazin-1-yl)-[(3R)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone
CID 92667756
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
(4-benzylpiperazin-1-yl)-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone
CID 90610151
1-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)azetidine-3-carboxamide
CID 121128329
N-(1-benzylpiperidin-4-yl)-1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxamide
CID 3873283
N-[(3-chlorophenyl)methyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 122176207

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide (CID 71800308) is N-(1-benzylpiperidin-4-yl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide is Cc1ccc2nc(N3CC(C(=O)NC4CCN(Cc5ccccc5)CC4)C3)sc2c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
The InChIKey is HPNCAXJVGKWWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4OS/c1-17-7-8-21-22(13-17)30-24(26-21)28-15-19(16-28)23(29)25-20-9-11-27(12-10-20)14-18-5-3-2-4-6-18/h2-8,13,19-20H,9-12,14-16H2,1H3,(H,25,29).
What are the key properties of N-(1-benzylpiperidin-4-yl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
N-(1-benzylpiperidin-4-yl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide has a molecular weight of 420.58 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide is sourced from PubChem (CID 71800308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).