2-[4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanol

C15H20N4OS — CID 60711339

IUPAC2-[4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(Cc2csc(-c3ccccn3)n2)CC1
InChIInChI=1S/C15H20N4OS/c20-10-9-18-5-7-19(8-6-18)11-13-12-21-15(17-13)14-3-1-2-4-16-14/h1-4,12,20H,5-11H2
InChIKeyPQBVAYGYSGOCBF-UHFFFAOYSA-N
MW304.42 g/mol
LogP1.32
Rot. Bonds5

About 2-[4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanol

2-[4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanol (PubChem CID 60711339) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-[4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanol
PubChem CID60711339
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name2-[4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(Cc2csc(-c3ccccn3)n2)CC1
InChIInChI=1S/C15H20N4OS/c20-10-9-18-5-7-19(8-6-18)11-13-12-21-15(17-13)14-3-1-2-4-16-14/h1-4,12,20H,5-11H2
InChIKeyPQBVAYGYSGOCBF-UHFFFAOYSA-N
XLogP1.32
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(piperazin-1-ylmethyl)-2-pyridin-2-yl-1,3-thiazole;dihydrochloride
CID 82018947
2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115648086
4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 47052276
N-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]benzamide
CID 18142784
2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]ethanol
CID 62020101
4-[2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]ethyl]morpholine
CID 75435208
[6-methyl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]methanol
CID 110016984
(3S,4R)-4-phenyl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120770213
4-benzyl-2-pyridin-2-yl-1,3-thiazole
CID 18182490
2-pyridin-2-yl-4-(2-pyridin-2-yl-1,3-thiazol-4-yl)-1,3-thiazole
CID 15542721
5-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 29085047
2-methyl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 79370396

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanol (CID 60711339) is 2-[4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanol is OCCN1CCN(Cc2csc(-c3ccccn3)n2)CC1.
What is the InChIKey of 2-[4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanol?
The InChIKey is PQBVAYGYSGOCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c20-10-9-18-5-7-19(8-6-18)11-13-12-21-15(17-13)14-3-1-2-4-16-14/h1-4,12,20H,5-11H2.
What are the key properties of 2-[4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanol?
2-[4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanol has a molecular weight of 304.42 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 60711339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).