N-(1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide

C16H19N3O2S — CID 60527440

IUPACN-(1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(C(=O)Nc2nc3ccccc3s2)C1
InChIInChI=1S/C16H19N3O2S/c1-2-14(20)19-9-5-6-11(10-19)15(21)18-16-17-12-7-3-4-8-13(12)22-16/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,17,18,21)
InChIKeyGPLKQDNZNFXRFH-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.88
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide

N-(1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide (PubChem CID 60527440) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide
PubChem CID60527440
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-(1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(C(=O)Nc2nc3ccccc3s2)C1
InChIInChI=1S/C16H19N3O2S/c1-2-14(20)19-9-5-6-11(10-19)15(21)18-16-17-12-7-3-4-8-13(12)22-16/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,17,18,21)
InChIKeyGPLKQDNZNFXRFH-UHFFFAOYSA-N
XLogP2.88
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide 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-(6-methoxy-1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide
CID 60521447
1-butanoyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 60526922
(3R)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-propanoylpiperidine-3-carboxamide
CID 94132307
N-(1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 835551
1-N,4-N-bis(1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxamide
CID 171722456
N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55628957
(3R)-1-(cyclopropanecarbonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 94819627
N-(1,3-benzothiazol-2-yl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 26251597
N-(1,3-benzothiazol-2-yl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide
CID 46416335
N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55606343
N-(3-phenyl-1,2-thiazol-5-yl)-1-propanoylpiperidine-3-carboxamide
CID 56792579
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-propanoylpiperidine-3-carboxamide
CID 60529706

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide (CID 60527440) is N-(1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide is CCC(=O)N1CCCC(C(=O)Nc2nc3ccccc3s2)C1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide?
The InChIKey is GPLKQDNZNFXRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-2-14(20)19-9-5-6-11(10-19)15(21)18-16-17-12-7-3-4-8-13(12)22-16/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,17,18,21).
What are the key properties of N-(1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide?
N-(1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 2.88, 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)-1-propanoylpiperidine-3-carboxamide is sourced from PubChem (CID 60527440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).