1-(6-amino-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

C13H16N4OS — CID 63231156

IUPAC1-(6-amino-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc3ccc(N)cc3s2)CC1
InChIInChI=1S/C13H16N4OS/c14-9-1-2-10-11(7-9)19-13(16-10)17-5-3-8(4-6-17)12(15)18/h1-2,7-8H,3-6,14H2,(H2,15,18)
InChIKeyLKUJWQDQIKCUJL-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.58
Rot. Bonds2

About 1-(6-amino-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

1-(6-amino-1,3-benzothiazol-2-yl)piperidine-4-carboxamide (PubChem CID 63231156) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-(6-amino-1,3-benzothiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-amino-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
PubChem CID63231156
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC Name1-(6-amino-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc3ccc(N)cc3s2)CC1
InChIInChI=1S/C13H16N4OS/c14-9-1-2-10-11(7-9)19-13(16-10)17-5-3-8(4-6-17)12(15)18/h1-2,7-8H,3-6,14H2,(H2,15,18)
InChIKeyLKUJWQDQIKCUJL-UHFFFAOYSA-N
XLogP1.58
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-amino-1,3-benzothiazol-2-yl)piperidine-4-carboxamide (CID 63231156) is 1-(6-amino-1,3-benzothiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-amino-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-amino-1,3-benzothiazol-2-yl)piperidine-4-carboxamide is NC(=O)C1CCN(c2nc3ccc(N)cc3s2)CC1.
What is the InChIKey of 1-(6-amino-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is LKUJWQDQIKCUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c14-9-1-2-10-11(7-9)19-13(16-10)17-5-3-8(4-6-17)12(15)18/h1-2,7-8H,3-6,14H2,(H2,15,18).
What are the key properties of 1-(6-amino-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
1-(6-amino-1,3-benzothiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-1,3-benzothiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 63231156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).