N-(1,3-benzothiazol-2-yl)-2-piperidin-1-ylacetamide

C14H17N3OS — CID 788494

IUPACN-(1,3-benzothiazol-2-yl)-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1nc2ccccc2s1
InChIInChI=1S/C14H17N3OS/c18-13(10-17-8-4-1-5-9-17)16-14-15-11-6-2-3-7-12(11)19-14/h2-3,6-7H,1,4-5,8-10H2,(H,15,16,18)
InChIKeyOMEJXRXXPJVIEM-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.72
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-2-piperidin-1-ylacetamide

N-(1,3-benzothiazol-2-yl)-2-piperidin-1-ylacetamide (PubChem CID 788494) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-piperidin-1-ylacetamide
PubChem CID788494
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1nc2ccccc2s1
InChIInChI=1S/C14H17N3OS/c18-13(10-17-8-4-1-5-9-17)16-14-15-11-6-2-3-7-12(11)19-14/h2-3,6-7H,1,4-5,8-10H2,(H,15,16,18)
InChIKeyOMEJXRXXPJVIEM-UHFFFAOYSA-N
XLogP2.72
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 71901166
N-(1,3-benzothiazol-2-yl)-2-(4-methylpiperazin-1-yl)acetamide;1-methylpiperazine
CID 160746986
N-(1,3-benzothiazol-2-yl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 51435714
N-(1,3-benzothiazol-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide
CID 8882198
2-(azepan-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 650783
N-(1,3-benzothiazol-2-yl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684627
N-(1,3-benzothiazol-2-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 8571610
2-(3-amino-4-methylpyrrolidin-1-yl)-N-(1,3-benzothiazol-2-yl)acetamide
CID 103576642
2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-N-(1,3-benzothiazol-2-yl)acetamide;oxalic acid
CID 71780680
N-[6-[(4-methylphenyl)methylamino]-1,3-benzothiazol-2-yl]-2-piperidin-1-ylacetamide
CID 156597578
N-(1,3-benzothiazol-2-yl)-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 90493777
2-(azepan-1-yl)-N-[6-[(4-chlorophenyl)methylamino]-1,3-benzothiazol-2-yl]acetamide
CID 156597390

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-piperidin-1-ylacetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-piperidin-1-ylacetamide (CID 788494) is N-(1,3-benzothiazol-2-yl)-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-piperidin-1-ylacetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-piperidin-1-ylacetamide is O=C(CN1CCCCC1)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-piperidin-1-ylacetamide?
The InChIKey is OMEJXRXXPJVIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c18-13(10-17-8-4-1-5-9-17)16-14-15-11-6-2-3-7-12(11)19-14/h2-3,6-7H,1,4-5,8-10H2,(H,15,16,18).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-piperidin-1-ylacetamide?
N-(1,3-benzothiazol-2-yl)-2-piperidin-1-ylacetamide has a molecular weight of 275.38 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-piperidin-1-ylacetamide is sourced from PubChem (CID 788494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).