N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]acetamide

C15H19N3OS — CID 171335662

IUPACN-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(c2nc3ccc(C)cc3s2)C1
InChIInChI=1S/C15H19N3OS/c1-10-5-6-13-14(8-10)20-15(17-13)18-7-3-4-12(9-18)16-11(2)19/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,16,19)
InChIKeyQNZMFMZXWIPLOC-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.71
Rot. Bonds2

About N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]acetamide

N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]acetamide (PubChem CID 171335662) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]acetamide
PubChem CID171335662
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(c2nc3ccc(C)cc3s2)C1
InChIInChI=1S/C15H19N3OS/c1-10-5-6-13-14(8-10)20-15(17-13)18-7-3-4-12(9-18)16-11(2)19/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,16,19)
InChIKeyQNZMFMZXWIPLOC-UHFFFAOYSA-N
XLogP2.71
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 90611653
N-[1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidin-3-yl]acetamide
CID 171328526
[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 90611663
1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidin-3-ol
CID 154580774
N-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-3-yl]acetamide
CID 171335280
N-(2-methoxy-5-methylphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90611784
N-(3,4-difluorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90611763
5-acetyl-N-[(3R)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]thiophene-2-carboxamide
CID 26320561
5-acetyl-N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]thiophene-2-carboxamide
CID 45228990
(4-cyclohexylpiperazin-1-yl)-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone
CID 90611834
ethyl 4-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carbonyl]piperazine-1-carboxylate
CID 90611667
N-(4-bromo-3-methylphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90611787

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]acetamide?
The IUPAC name of N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]acetamide (CID 171335662) is N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]acetamide is CC(=O)NC1CCCN(c2nc3ccc(C)cc3s2)C1.
What is the InChIKey of N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]acetamide?
The InChIKey is QNZMFMZXWIPLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-10-5-6-13-14(8-10)20-15(17-13)18-7-3-4-12(9-18)16-11(2)19/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,16,19).
What are the key properties of N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]acetamide?
N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]acetamide has a molecular weight of 289.40 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]acetamide is sourced from PubChem (CID 171335662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).