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

C15H19N3O2S — CID 60684627

IUPACN-(1,3-benzothiazol-2-yl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCCCC1CO)Nc1nc2ccccc2s1
InChIInChI=1S/C15H19N3O2S/c19-10-11-5-3-4-8-18(11)9-14(20)17-15-16-12-6-1-2-7-13(12)21-15/h1-2,6-7,11,19H,3-5,8-10H2,(H,16,17,20)
InChIKeyRVJHBVICHQOWMA-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.08
Rot. Bonds4

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

N-(1,3-benzothiazol-2-yl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide (PubChem CID 60684627) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
PubChem CID60684627
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCCCC1CO)Nc1nc2ccccc2s1
InChIInChI=1S/C15H19N3O2S/c19-10-11-5-3-4-8-18(11)9-14(20)17-15-16-12-6-1-2-7-13(12)21-15/h1-2,6-7,11,19H,3-5,8-10H2,(H,16,17,20)
InChIKeyRVJHBVICHQOWMA-UHFFFAOYSA-N
XLogP2.08
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzothiazol-2-yl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzothiazol-2-yl)-2-piperidin-1-ylacetamide
CID 788494
N-(2,1,3-benzothiadiazol-4-yl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684776
N-(1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 835551
2-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 71901166
N-(1,3-benzothiazol-2-yl)-2-cyclohexylacetamide
CID 806702
2-[2-(hydroxymethyl)piperidin-1-yl]-N-naphthalen-1-ylacetamide
CID 110880917
N-(1,3-benzothiazol-2-yl)-3-(2-pyridin-3-ylpiperidin-1-yl)propanamide
CID 50956027
N-(2,6-dimethylphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684578
N-(2-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684580
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 78815665
1-N,4-N-bis(1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxamide
CID 171722456
N-(4-acetamidophenyl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetamide
CID 9135294

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide (CID 60684627) is N-(1,3-benzothiazol-2-yl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide is O=C(CN1CCCCC1CO)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide?
The InChIKey is RVJHBVICHQOWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c19-10-11-5-3-4-8-18(11)9-14(20)17-15-16-12-6-1-2-7-13(12)21-15/h1-2,6-7,11,19H,3-5,8-10H2,(H,16,17,20).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide?
N-(1,3-benzothiazol-2-yl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide has a molecular weight of 305.40 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 60684627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).