2-methylsulfanyl-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride

C17H21ClN4OS — CID 119494252

IUPAC2-methylsulfanyl-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride
SMILESCSc1ccccc1C(=O)Nc1ccc(N2CCNCC2)cn1.Cl
InChIInChI=1S/C17H20N4OS.ClH/c1-23-15-5-3-2-4-14(15)17(22)20-16-7-6-13(12-19-16)21-10-8-18-9-11-21;/h2-7,12,18H,8-11H2,1H3,(H,19,20,22);1H
InChIKeyJUFQEZWBEDFFRZ-UHFFFAOYSA-N
MW364.90 g/mol
LogP2.89
Rot. Bonds4

About 2-methylsulfanyl-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride

2-methylsulfanyl-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride (PubChem CID 119494252) has the molecular formula C17H21ClN4OS and a molecular weight of 364.90 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-methylsulfanyl-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride
PubChem CID119494252
Molecular FormulaC17H21ClN4OS
Molecular Weight364.90 g/mol
Exact Mass364.11
IUPAC Name2-methylsulfanyl-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride
SMILESCSc1ccccc1C(=O)Nc1ccc(N2CCNCC2)cn1.Cl
InChIInChI=1S/C17H20N4OS.ClH/c1-23-15-5-3-2-4-14(15)17(22)20-16-7-6-13(12-19-16)21-10-8-18-9-11-21;/h2-7,12,18H,8-11H2,1H3,(H,19,20,22);1H
InChIKeyJUFQEZWBEDFFRZ-UHFFFAOYSA-N
XLogP2.89
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride
CID 119494622
N-(5-piperazin-1-yl-2-pyridinyl)-2-(trifluoromethyl)benzamide;hydrochloride
CID 119494232
1-methyl-N-(5-piperazin-1-yl-2-pyridinyl)cyclopropane-1-carboxamide;hydrochloride
CID 119494178
N-(5-piperazin-1-yl-2-pyridinyl)-4-propan-2-ylbenzamide;hydrochloride
CID 119494632
6-methyl-N-(5-piperazin-1-yl-2-pyridinyl)pyridine-3-carboxamide;dihydrochloride
CID 119494408
3-methyl-2-nitro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494185
2,4-dimethyl-N-(5-piperazin-1-yl-2-pyridinyl)-1,3-oxazole-5-carboxamide;hydrochloride
CID 119494520
3-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494063
2-chloro-N-(5-piperidin-1-yl-2-pyridinyl)benzamide
CID 113024603
5-bromo-2-methyl-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494211
5-methyl-N-(5-piperazin-1-yl-2-pyridinyl)furan-2-carboxamide
CID 119494477
N-(5-piperazin-1-yl-2-pyridinyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119494136

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride?
The IUPAC name of 2-methylsulfanyl-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride (CID 119494252) is 2-methylsulfanyl-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride.
What is the SMILES notation for 2-methylsulfanyl-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride?
The canonical SMILES for 2-methylsulfanyl-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride is CSc1ccccc1C(=O)Nc1ccc(N2CCNCC2)cn1.Cl.
What is the InChIKey of 2-methylsulfanyl-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride?
The InChIKey is JUFQEZWBEDFFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS.ClH/c1-23-15-5-3-2-4-14(15)17(22)20-16-7-6-13(12-19-16)21-10-8-18-9-11-21;/h2-7,12,18H,8-11H2,1H3,(H,19,20,22);1H.
What are the key properties of 2-methylsulfanyl-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride?
2-methylsulfanyl-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride has a molecular weight of 364.90 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride is sourced from PubChem (CID 119494252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).