N-piperidin-3-yl-1,3-benzothiazole-6-carboxamide;dihydrochloride

C13H17Cl2N3OS — CID 119427664

IUPACN-piperidin-3-yl-1,3-benzothiazole-6-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCCNC1)c1ccc2ncsc2c1
InChIInChI=1S/C13H15N3OS.2ClH/c17-13(16-10-2-1-5-14-7-10)9-3-4-11-12(6-9)18-8-15-11;;/h3-4,6,8,10,14H,1-2,5,7H2,(H,16,17);2*1H
InChIKeyFGIXFLLKIIDVSX-UHFFFAOYSA-N
MW334.27 g/mol
LogP2.62
Rot. Bonds2

About N-piperidin-3-yl-1,3-benzothiazole-6-carboxamide;dihydrochloride

N-piperidin-3-yl-1,3-benzothiazole-6-carboxamide;dihydrochloride (PubChem CID 119427664) has the molecular formula C13H17Cl2N3OS and a molecular weight of 334.27 g/mol. Its IUPAC name is N-piperidin-3-yl-1,3-benzothiazole-6-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-piperidin-3-yl-1,3-benzothiazole-6-carboxamide;dihydrochloride
PubChem CID119427664
Molecular FormulaC13H17Cl2N3OS
Molecular Weight334.27 g/mol
Exact Mass333.05
IUPAC NameN-piperidin-3-yl-1,3-benzothiazole-6-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCCNC1)c1ccc2ncsc2c1
InChIInChI=1S/C13H15N3OS.2ClH/c17-13(16-10-2-1-5-14-7-10)9-3-4-11-12(6-9)18-8-15-11;;/h3-4,6,8,10,14H,1-2,5,7H2,(H,16,17);2*1H
InChIKeyFGIXFLLKIIDVSX-UHFFFAOYSA-N
XLogP2.62
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.27
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-piperidin-4-yl-1,3-benzothiazole-6-carboxamide
CID 18337213
N-cycloheptyl-1,3-benzothiazole-6-carboxamide
CID 2092233
N-(2-piperidin-3-ylethyl)-1,3-benzothiazole-6-carboxamide
CID 119558095
N-(4-aminocyclohexyl)-1,3-benzothiazole-6-carboxamide;dihydrochloride
CID 119477630
N-piperidin-3-yl-1-benzothiophene-5-carboxamide
CID 119426134
3-bromo-N-piperidin-3-ylbenzamide
CID 63321592
N-[2-(cyclopentylcarbamoyl)phenyl]-1,3-benzothiazole-6-carboxamide
CID 16548320
N-piperidin-3-ylbenzamide
CID 22017045
2-(1,3-benzothiazole-6-carbonylamino)cyclopentane-1-carboxylic acid
CID 64813484
3-chloro-4-methyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426938
3-chloro-4-iodo-N-[(3S)-piperidin-3-yl]benzamide
CID 103866566
3-bromo-4-fluoro-N-[(3R)-piperidin-3-yl]benzamide
CID 99849634

Frequently Asked Questions

What is the IUPAC name of N-piperidin-3-yl-1,3-benzothiazole-6-carboxamide;dihydrochloride?
The IUPAC name of N-piperidin-3-yl-1,3-benzothiazole-6-carboxamide;dihydrochloride (CID 119427664) is N-piperidin-3-yl-1,3-benzothiazole-6-carboxamide;dihydrochloride.
What is the SMILES notation for N-piperidin-3-yl-1,3-benzothiazole-6-carboxamide;dihydrochloride?
The canonical SMILES for N-piperidin-3-yl-1,3-benzothiazole-6-carboxamide;dihydrochloride is Cl.Cl.O=C(NC1CCCNC1)c1ccc2ncsc2c1.
What is the InChIKey of N-piperidin-3-yl-1,3-benzothiazole-6-carboxamide;dihydrochloride?
The InChIKey is FGIXFLLKIIDVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS.2ClH/c17-13(16-10-2-1-5-14-7-10)9-3-4-11-12(6-9)18-8-15-11;;/h3-4,6,8,10,14H,1-2,5,7H2,(H,16,17);2*1H.
What are the key properties of N-piperidin-3-yl-1,3-benzothiazole-6-carboxamide;dihydrochloride?
N-piperidin-3-yl-1,3-benzothiazole-6-carboxamide;dihydrochloride has a molecular weight of 334.27 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-3-yl-1,3-benzothiazole-6-carboxamide;dihydrochloride is sourced from PubChem (CID 119427664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).