(2S)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide;hydrochloride

C14H18ClN3OS — CID 119674535

IUPAC(2S)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide;hydrochloride
SMILESCc1ccc2nc(NC(=O)[C@@H]3CCCCN3)sc2c1.Cl
InChIInChI=1S/C14H17N3OS.ClH/c1-9-5-6-10-12(8-9)19-14(16-10)17-13(18)11-4-2-3-7-15-11;/h5-6,8,11,15H,2-4,7H2,1H3,(H,16,17,18);1H/t11-;/m0./s1
InChIKeyQUVGOQDEPSJBRF-MERQFXBCSA-N
MW311.84 g/mol
LogP3.11
Rot. Bonds2

About (2S)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide;hydrochloride

(2S)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide;hydrochloride (PubChem CID 119674535) has the molecular formula C14H18ClN3OS and a molecular weight of 311.84 g/mol. Its IUPAC name is (2S)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide;hydrochloride
PubChem CID119674535
Molecular FormulaC14H18ClN3OS
Molecular Weight311.84 g/mol
Exact Mass311.09
IUPAC Name(2S)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide;hydrochloride
SMILESCc1ccc2nc(NC(=O)[C@@H]3CCCCN3)sc2c1.Cl
InChIInChI=1S/C14H17N3OS.ClH/c1-9-5-6-10-12(8-9)19-14(16-10)17-13(18)11-4-2-3-7-15-11;/h5-6,8,11,15H,2-4,7H2,1H3,(H,16,17,18);1H/t11-;/m0./s1
InChIKeyQUVGOQDEPSJBRF-MERQFXBCSA-N
XLogP3.11
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119263420
N-(6-acetamido-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 119277660
4-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide
CID 114427841
N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide;hydrochloride
CID 119263430
N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 18072655
N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxothiomorpholine-3-carboxamide
CID 110695610
N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 18071816
cis-(1S,2R)-2-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate
CID 6949082
1-cyclohexyl-3-(6-methyl-1,3-benzothiazol-2-yl)urea
CID 898347
3-amino-N-(6-methyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
CID 63042489
(3S)-N-(6-methyl-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide
CID 94176221
N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119306074

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide;hydrochloride (CID 119674535) is (2S)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide;hydrochloride is Cc1ccc2nc(NC(=O)[C@@H]3CCCCN3)sc2c1.Cl.
What is the InChIKey of (2S)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide;hydrochloride?
The InChIKey is QUVGOQDEPSJBRF-MERQFXBCSA-N. The full InChI is InChI=1S/C14H17N3OS.ClH/c1-9-5-6-10-12(8-9)19-14(16-10)17-13(18)11-4-2-3-7-15-11;/h5-6,8,11,15H,2-4,7H2,1H3,(H,16,17,18);1H/t11-;/m0./s1.
What are the key properties of (2S)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide;hydrochloride?
(2S)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide;hydrochloride has a molecular weight of 311.84 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119674535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).