N-(1,3-benzothiazol-5-yl)piperidine-3-carboxamide

C13H15N3OS — CID 119296080

IUPACN-(1,3-benzothiazol-5-yl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc2scnc2c1)C1CCCNC1
InChIInChI=1S/C13H15N3OS/c17-13(9-2-1-5-14-7-9)16-10-3-4-12-11(6-10)15-8-18-12/h3-4,6,8-9,14H,1-2,5,7H2,(H,16,17)
InChIKeyHNTRMIBZJPUGHU-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.23
Rot. Bonds2

About N-(1,3-benzothiazol-5-yl)piperidine-3-carboxamide

N-(1,3-benzothiazol-5-yl)piperidine-3-carboxamide (PubChem CID 119296080) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is N-(1,3-benzothiazol-5-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-5-yl)piperidine-3-carboxamide
PubChem CID119296080
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC NameN-(1,3-benzothiazol-5-yl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc2scnc2c1)C1CCCNC1
InChIInChI=1S/C13H15N3OS/c17-13(9-2-1-5-14-7-9)16-10-3-4-12-11(6-10)15-8-18-12/h3-4,6,8-9,14H,1-2,5,7H2,(H,16,17)
InChIKeyHNTRMIBZJPUGHU-UHFFFAOYSA-N
XLogP2.23
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-5-yl)morpholine-2-carboxamide
CID 119735663
N-(1,3-benzothiazol-5-yl)-3-piperidin-3-ylbutanamide
CID 119735647
N-(1,3-benzothiazol-5-yl)-1-(oxan-4-yl)piperidine-3-carboxamide
CID 131895532
N-(3-bromo-4-fluorophenyl)piperidine-3-carboxamide;hydrochloride
CID 119281108
N-(6-chloro-3-pyridinyl)piperidine-3-carboxamide
CID 81426071
(3R)-N-[4-bromo-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 81123334
(3R)-N-(1,3-dihydro-2-benzofuran-5-yl)piperidine-3-carboxamide
CID 114263025
(3R)-N-(1H-indazol-6-yl)piperidine-3-carboxamide
CID 81124265
(3R)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-3-carboxamide
CID 81124785
(3S)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-3-carboxamide
CID 81124708
1-(1,3-benzothiazol-5-ylcarbamoyl)piperidine-3-carboxylic acid
CID 122078635
N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide;dihydrochloride
CID 119839152

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-5-yl)piperidine-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-5-yl)piperidine-3-carboxamide (CID 119296080) is N-(1,3-benzothiazol-5-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-5-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-5-yl)piperidine-3-carboxamide is O=C(Nc1ccc2scnc2c1)C1CCCNC1.
What is the InChIKey of N-(1,3-benzothiazol-5-yl)piperidine-3-carboxamide?
The InChIKey is HNTRMIBZJPUGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c17-13(9-2-1-5-14-7-9)16-10-3-4-12-11(6-10)15-8-18-12/h3-4,6,8-9,14H,1-2,5,7H2,(H,16,17).
What are the key properties of N-(1,3-benzothiazol-5-yl)piperidine-3-carboxamide?
N-(1,3-benzothiazol-5-yl)piperidine-3-carboxamide has a molecular weight of 261.35 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-5-yl)piperidine-3-carboxamide is sourced from PubChem (CID 119296080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).