4-(piperazin-1-ylmethyl)-2-pyridin-2-yl-1,3-thiazole;dihydrochloride

C13H18Cl2N4S — CID 82018947

IUPAC4-(piperazin-1-ylmethyl)-2-pyridin-2-yl-1,3-thiazole;dihydrochloride
SMILESCl.Cl.c1ccc(-c2nc(CN3CCNCC3)cs2)nc1
InChIInChI=1S/C13H16N4S.2ClH/c1-2-4-15-12(3-1)13-16-11(10-18-13)9-17-7-5-14-6-8-17;;/h1-4,10,14H,5-9H2;2*1H
InChIKeyUHBOZHSTTJZTKX-UHFFFAOYSA-N
MW333.29 g/mol
LogP2.45
Rot. Bonds3

About 4-(piperazin-1-ylmethyl)-2-pyridin-2-yl-1,3-thiazole;dihydrochloride

4-(piperazin-1-ylmethyl)-2-pyridin-2-yl-1,3-thiazole;dihydrochloride (PubChem CID 82018947) has the molecular formula C13H18Cl2N4S and a molecular weight of 333.29 g/mol. Its IUPAC name is 4-(piperazin-1-ylmethyl)-2-pyridin-2-yl-1,3-thiazole;dihydrochloride.

Molecular Properties

Compound Name4-(piperazin-1-ylmethyl)-2-pyridin-2-yl-1,3-thiazole;dihydrochloride
PubChem CID82018947
Molecular FormulaC13H18Cl2N4S
Molecular Weight333.29 g/mol
Exact Mass332.06
IUPAC Name4-(piperazin-1-ylmethyl)-2-pyridin-2-yl-1,3-thiazole;dihydrochloride
SMILESCl.Cl.c1ccc(-c2nc(CN3CCNCC3)cs2)nc1
InChIInChI=1S/C13H16N4S.2ClH/c1-2-4-15-12(3-1)13-16-11(10-18-13)9-17-7-5-14-6-8-17;;/h1-4,10,14H,5-9H2;2*1H
InChIKeyUHBOZHSTTJZTKX-UHFFFAOYSA-N
XLogP2.45
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanol
CID 60711339
4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 47052276
2-(phenoxymethyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride
CID 82020434
piperazine;1-(pyridin-2-ylmethyl)piperazine
CID 174820345
2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115648086
N-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]benzamide
CID 18142784
(3S,4R)-4-phenyl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120770213
methanamine;1-(pyridin-2-ylmethyl)piperazine
CID 142253020
2-methyl-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride
CID 46735539
ethane;1-(pyridin-2-ylmethyl)-1,4,7,10-tetrazacyclododecane
CID 171786933
N-methyl-1-piperidin-4-yl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine
CID 79702191
4-benzyl-2-pyridin-2-yl-1,3-thiazole
CID 18182490

Frequently Asked Questions

What is the IUPAC name of 4-(piperazin-1-ylmethyl)-2-pyridin-2-yl-1,3-thiazole;dihydrochloride?
The IUPAC name of 4-(piperazin-1-ylmethyl)-2-pyridin-2-yl-1,3-thiazole;dihydrochloride (CID 82018947) is 4-(piperazin-1-ylmethyl)-2-pyridin-2-yl-1,3-thiazole;dihydrochloride.
What is the SMILES notation for 4-(piperazin-1-ylmethyl)-2-pyridin-2-yl-1,3-thiazole;dihydrochloride?
The canonical SMILES for 4-(piperazin-1-ylmethyl)-2-pyridin-2-yl-1,3-thiazole;dihydrochloride is Cl.Cl.c1ccc(-c2nc(CN3CCNCC3)cs2)nc1.
What is the InChIKey of 4-(piperazin-1-ylmethyl)-2-pyridin-2-yl-1,3-thiazole;dihydrochloride?
The InChIKey is UHBOZHSTTJZTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S.2ClH/c1-2-4-15-12(3-1)13-16-11(10-18-13)9-17-7-5-14-6-8-17;;/h1-4,10,14H,5-9H2;2*1H.
What are the key properties of 4-(piperazin-1-ylmethyl)-2-pyridin-2-yl-1,3-thiazole;dihydrochloride?
4-(piperazin-1-ylmethyl)-2-pyridin-2-yl-1,3-thiazole;dihydrochloride has a molecular weight of 333.29 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperazin-1-ylmethyl)-2-pyridin-2-yl-1,3-thiazole;dihydrochloride is sourced from PubChem (CID 82018947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).