2-cyclopentyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride

C18H25ClN4S — CID 120909919

IUPAC2-cyclopentyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
SMILESCl.c1cc(C2CNCCN2Cc2cnc(C3CCCC3)s2)ccn1
InChIInChI=1S/C18H24N4S.ClH/c1-2-4-15(3-1)18-21-11-16(23-18)13-22-10-9-20-12-17(22)14-5-7-19-8-6-14;/h5-8,11,15,17,20H,1-4,9-10,12-13H2;1H
InChIKeyABSCKFHMSVWWOP-UHFFFAOYSA-N
MW364.95 g/mol
LogP3.76
Rot. Bonds4

About 2-cyclopentyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride

2-cyclopentyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride (PubChem CID 120909919) has the molecular formula C18H25ClN4S and a molecular weight of 364.95 g/mol. Its IUPAC name is 2-cyclopentyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name2-cyclopentyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
PubChem CID120909919
Molecular FormulaC18H25ClN4S
Molecular Weight364.95 g/mol
Exact Mass364.15
IUPAC Name2-cyclopentyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
SMILESCl.c1cc(C2CNCCN2Cc2cnc(C3CCCC3)s2)ccn1
InChIInChI=1S/C18H24N4S.ClH/c1-2-4-15(3-1)18-21-11-16(23-18)13-22-10-9-20-12-17(22)14-5-7-19-8-6-14;/h5-8,11,15,17,20H,1-4,9-10,12-13H2;1H
InChIKeyABSCKFHMSVWWOP-UHFFFAOYSA-N
XLogP3.76
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.95
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclobutyl-5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120767763
N,N-diethyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120910469
2-(5-methylfuran-2-yl)-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 120910331
1-[(5-bromothiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910009
5-chloro-2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 120910056
5-bromo-2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 120910696
2-cyclopropyl-4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 120910295
1-[(4-bromothiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910228
1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-4-ylpiperazine
CID 120910478
5-[(2-pyridin-4-ylazepan-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897264
2-pyridin-4-yl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperazine;hydrochloride
CID 120910611
2-tert-butyl-5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 120768352

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride?
The IUPAC name of 2-cyclopentyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride (CID 120909919) is 2-cyclopentyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride.
What is the SMILES notation for 2-cyclopentyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride?
The canonical SMILES for 2-cyclopentyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride is Cl.c1cc(C2CNCCN2Cc2cnc(C3CCCC3)s2)ccn1.
What is the InChIKey of 2-cyclopentyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride?
The InChIKey is ABSCKFHMSVWWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4S.ClH/c1-2-4-15(3-1)18-21-11-16(23-18)13-22-10-9-20-12-17(22)14-5-7-19-8-6-14;/h5-8,11,15,17,20H,1-4,9-10,12-13H2;1H.
What are the key properties of 2-cyclopentyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride?
2-cyclopentyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride has a molecular weight of 364.95 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride is sourced from PubChem (CID 120909919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).