N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C17H21ClN6OS — CID 119692171

IUPACN-[2-(1,3-benzothiazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCl.O=C(NCCc1nc2ccccc2s1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C17H20N6OS.ClH/c24-17(14-11-23(22-21-14)12-5-8-18-9-6-12)19-10-7-16-20-13-3-1-2-4-15(13)25-16;/h1-4,11-12,18H,5-10H2,(H,19,24);1H
InChIKeyKZMQUQLPLSGZIV-UHFFFAOYSA-N
MW392.92 g/mol
LogP2.21
Rot. Bonds5

About N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119692171) has the molecular formula C17H21ClN6OS and a molecular weight of 392.92 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119692171
Molecular FormulaC17H21ClN6OS
Molecular Weight392.92 g/mol
Exact Mass392.12
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCl.O=C(NCCc1nc2ccccc2s1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C17H20N6OS.ClH/c24-17(14-11-23(22-21-14)12-5-8-18-9-6-12)19-10-7-16-20-13-3-1-2-4-15(13)25-16;/h1-4,11-12,18H,5-10H2,(H,19,24);1H
InChIKeyKZMQUQLPLSGZIV-UHFFFAOYSA-N
XLogP2.21
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.92
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119686694
1-piperidin-4-yl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]triazole-4-carboxamide;dihydrochloride
CID 119888822
N-[3-(benzimidazol-1-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119834571
1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide
CID 42376514
N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283255
N-[2-(3-chlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119688217
1-piperidin-4-yl-N-[2-(trifluoromethylsulfanyl)ethyl]triazole-4-carboxamide;hydrochloride
CID 119727706
N-(6-hydroxyhexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 107842557
N-[2-[cyclopropyl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119863842
N-(3-hydroxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75373004
N-(4-phenylmethoxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119763497
N-[2-(cyclopenten-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 106175162

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119692171) is N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cl.O=C(NCCc1nc2ccccc2s1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is KZMQUQLPLSGZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6OS.ClH/c24-17(14-11-23(22-21-14)12-5-8-18-9-6-12)19-10-7-16-20-13-3-1-2-4-15(13)25-16;/h1-4,11-12,18H,5-10H2,(H,19,24);1H.
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 392.92 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119692171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).