2-cyclobutyl-5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride

C17H23ClN4S — CID 120767763

IUPAC2-cyclobutyl-5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
SMILESCl.c1cncc(C2CNCCN2Cc2cnc(C3CCC3)s2)c1
InChIInChI=1S/C17H22N4S.ClH/c1-3-13(4-1)17-20-10-15(22-17)12-21-8-7-19-11-16(21)14-5-2-6-18-9-14;/h2,5-6,9-10,13,16,19H,1,3-4,7-8,11-12H2;1H
InChIKeySAXDEVIFXVKPKJ-UHFFFAOYSA-N
MW350.92 g/mol
LogP3.37
Rot. Bonds4

About 2-cyclobutyl-5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride

2-cyclobutyl-5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride (PubChem CID 120767763) has the molecular formula C17H23ClN4S and a molecular weight of 350.92 g/mol. Its IUPAC name is 2-cyclobutyl-5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name2-cyclobutyl-5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
PubChem CID120767763
Molecular FormulaC17H23ClN4S
Molecular Weight350.92 g/mol
Exact Mass350.13
IUPAC Name2-cyclobutyl-5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
SMILESCl.c1cncc(C2CNCCN2Cc2cnc(C3CCC3)s2)c1
InChIInChI=1S/C17H22N4S.ClH/c1-3-13(4-1)17-20-10-15(22-17)12-21-8-7-19-11-16(21)14-5-2-6-18-9-14;/h2,5-6,9-10,13,16,19H,1,3-4,7-8,11-12H2;1H
InChIKeySAXDEVIFXVKPKJ-UHFFFAOYSA-N
XLogP3.37
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.92
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopentyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120909919
2-tert-butyl-5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 120768352
2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
CID 120768078
1-[(2,6-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754734
2-pyridin-3-yl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
CID 120768365
1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754578
4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]thiadiazole;hydrochloride
CID 120767683
5-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;dihydrochloride
CID 120754848
1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120767855
5-cyclopropyl-3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole;hydrochloride
CID 120755250
3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2-oxazole;hydrochloride
CID 120755446
2-pyridin-3-yl-1-[(2,4,5-trimethylphenyl)methyl]piperazine
CID 120768364

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride?
The IUPAC name of 2-cyclobutyl-5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride (CID 120767763) is 2-cyclobutyl-5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride.
What is the SMILES notation for 2-cyclobutyl-5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride?
The canonical SMILES for 2-cyclobutyl-5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride is Cl.c1cncc(C2CNCCN2Cc2cnc(C3CCC3)s2)c1.
What is the InChIKey of 2-cyclobutyl-5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride?
The InChIKey is SAXDEVIFXVKPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4S.ClH/c1-3-13(4-1)17-20-10-15(22-17)12-21-8-7-19-11-16(21)14-5-2-6-18-9-14;/h2,5-6,9-10,13,16,19H,1,3-4,7-8,11-12H2;1H.
What are the key properties of 2-cyclobutyl-5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride?
2-cyclobutyl-5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride has a molecular weight of 350.92 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride is sourced from PubChem (CID 120767763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).