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

C14H18ClN3OS — CID 119263430

IUPACN-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide;hydrochloride
SMILESCc1ccc2nc(NC(=O)C3CCCNC3)sc2c1.Cl
InChIInChI=1S/C14H17N3OS.ClH/c1-9-4-5-11-12(7-9)19-14(16-11)17-13(18)10-3-2-6-15-8-10;/h4-5,7,10,15H,2-3,6,8H2,1H3,(H,16,17,18);1H
InChIKeyKKLKSMHLAAPNRQ-UHFFFAOYSA-N
MW311.84 g/mol
LogP2.96
Rot. Bonds2

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

N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119263430) has the molecular formula C14H18ClN3OS and a molecular weight of 311.84 g/mol. Its IUPAC name is N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide;hydrochloride
PubChem CID119263430
Molecular FormulaC14H18ClN3OS
Molecular Weight311.84 g/mol
Exact Mass311.09
IUPAC NameN-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide;hydrochloride
SMILESCc1ccc2nc(NC(=O)C3CCCNC3)sc2c1.Cl
InChIInChI=1S/C14H17N3OS.ClH/c1-9-4-5-11-12(7-9)19-14(16-11)17-13(18)10-3-2-6-15-8-10;/h4-5,7,10,15H,2-3,6,8H2,1H3,(H,16,17,18);1H
InChIKeyKKLKSMHLAAPNRQ-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 18072655
N-(6-methyl-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119674536
(2S)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119674535
N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119263420
(3S)-N-(6-methyl-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide
CID 94176221
3-amino-N-(6-methyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
CID 63042489
N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119297288
(3R)-1-(cyclopropanecarbonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 94819627
cis-(1S,2R)-2-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate
CID 6949082
N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide;dihydrochloride
CID 119839152
N-(2-fluoro-5-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119264146
N-(2-chloro-4-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119262654

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide;hydrochloride (CID 119263430) is N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide;hydrochloride is Cc1ccc2nc(NC(=O)C3CCCNC3)sc2c1.Cl.
What is the InChIKey of N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is KKLKSMHLAAPNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS.ClH/c1-9-4-5-11-12(7-9)19-14(16-11)17-13(18)10-3-2-6-15-8-10;/h4-5,7,10,15H,2-3,6,8H2,1H3,(H,16,17,18);1H.
What are the key properties of N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide;hydrochloride?
N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 311.84 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119263430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).