4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole

C18H20N6S — CID 47052276

IUPAC4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
SMILESc1ccc(CN2CCN(Cc3csc(-c4ncccn4)n3)CC2)nc1
InChIInChI=1S/C18H20N6S/c1-2-5-19-15(4-1)12-23-8-10-24(11-9-23)13-16-14-25-18(22-16)17-20-6-3-7-21-17/h1-7,14H,8-13H2
InChIKeyYWNFZBSYFKNXLB-UHFFFAOYSA-N
MW352.47 g/mol
LogP2.31
Rot. Bonds5

About 4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole

4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole (PubChem CID 47052276) has the molecular formula C18H20N6S and a molecular weight of 352.47 g/mol. Its IUPAC name is 4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
PubChem CID47052276
Molecular FormulaC18H20N6S
Molecular Weight352.47 g/mol
Exact Mass352.15
IUPAC Name4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
SMILESc1ccc(CN2CCN(Cc3csc(-c4ncccn4)n3)CC2)nc1
InChIInChI=1S/C18H20N6S/c1-2-5-19-15(4-1)12-23-8-10-24(11-9-23)13-16-14-25-18(22-16)17-20-6-3-7-21-17/h1-7,14H,8-13H2
InChIKeyYWNFZBSYFKNXLB-UHFFFAOYSA-N
XLogP2.31
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.47
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-cyclopentyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 171130226
2-[4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanol
CID 60711339
4-(piperazin-1-ylmethyl)-2-pyridin-2-yl-1,3-thiazole;dihydrochloride
CID 82018947
4-(chloromethyl)-2-pyrimidin-2-yl-1,3-thiazole
CID 43622191
2-(2-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 6467633
1-phenyl-4-(pyridin-2-ylmethyl)piperazine
CID 1090338
5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 33034311
2-(4-ethylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 9346990
(2S,6R)-2,6-dimethyl-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholine
CID 94380497
1-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 171700809
2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]aniline
CID 19626880
piperazine;1-(pyridin-2-ylmethyl)piperazine
CID 174820345

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole?
The IUPAC name of 4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole (CID 47052276) is 4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole.
What is the SMILES notation for 4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole?
The canonical SMILES for 4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole is c1ccc(CN2CCN(Cc3csc(-c4ncccn4)n3)CC2)nc1.
What is the InChIKey of 4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole?
The InChIKey is YWNFZBSYFKNXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6S/c1-2-5-19-15(4-1)12-23-8-10-24(11-9-23)13-16-14-25-18(22-16)17-20-6-3-7-21-17/h1-7,14H,8-13H2.
What are the key properties of 4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole?
4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole has a molecular weight of 352.47 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole is sourced from PubChem (CID 47052276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).