1-(2-pyridin-3-ylpiperazin-1-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone;dihydrochloride

C19H21Cl2N5OS — CID 120730871

IUPAC1-(2-pyridin-3-ylpiperazin-1-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone;dihydrochloride
SMILESCl.Cl.O=C(Cc1csc(-c2ccccn2)n1)N1CCNCC1c1cccnc1
InChIInChI=1S/C19H19N5OS.2ClH/c25-18(10-15-13-26-19(23-15)16-5-1-2-7-22-16)24-9-8-21-12-17(24)14-4-3-6-20-11-14;;/h1-7,11,13,17,21H,8-10,12H2;2*1H
InChIKeyQEVQVZNPHUGTKR-UHFFFAOYSA-N
MW438.38 g/mol
LogP3.16
Rot. Bonds4

About 1-(2-pyridin-3-ylpiperazin-1-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone;dihydrochloride

1-(2-pyridin-3-ylpiperazin-1-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone;dihydrochloride (PubChem CID 120730871) has the molecular formula C19H21Cl2N5OS and a molecular weight of 438.38 g/mol. Its IUPAC name is 1-(2-pyridin-3-ylpiperazin-1-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone;dihydrochloride.

Molecular Properties

Compound Name1-(2-pyridin-3-ylpiperazin-1-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone;dihydrochloride
PubChem CID120730871
Molecular FormulaC19H21Cl2N5OS
Molecular Weight438.38 g/mol
Exact Mass437.08
IUPAC Name1-(2-pyridin-3-ylpiperazin-1-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone;dihydrochloride
SMILESCl.Cl.O=C(Cc1csc(-c2ccccn2)n1)N1CCNCC1c1cccnc1
InChIInChI=1S/C19H19N5OS.2ClH/c25-18(10-15-13-26-19(23-15)16-5-1-2-7-22-16)24-9-8-21-12-17(24)14-4-3-6-20-11-14;;/h1-7,11,13,17,21H,8-10,12H2;2*1H
InChIKeyQEVQVZNPHUGTKR-UHFFFAOYSA-N
XLogP3.16
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2-pyridin-3-ylpiperazin-1-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone;dihydrochloride with MolForge

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Related Compounds

1-(2-pyridin-3-ylpiperazin-1-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 120728863
2-methyl-N-[4-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]propanamide;dihydrochloride
CID 120730837
2,2-dimethyl-N-[4-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]propanamide
CID 120731282
3-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120731237
2-(4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120731250
3-phenyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120731691
1-(2-pyridin-3-ylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
CID 120729581
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120732156
2-(4-butylphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120730121
2-(4-ethoxyphenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120732198
2-(4-chlorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120731259
4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one
CID 120729213

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-3-ylpiperazin-1-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone;dihydrochloride?
The IUPAC name of 1-(2-pyridin-3-ylpiperazin-1-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone;dihydrochloride (CID 120730871) is 1-(2-pyridin-3-ylpiperazin-1-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone;dihydrochloride.
What is the SMILES notation for 1-(2-pyridin-3-ylpiperazin-1-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone;dihydrochloride?
The canonical SMILES for 1-(2-pyridin-3-ylpiperazin-1-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone;dihydrochloride is Cl.Cl.O=C(Cc1csc(-c2ccccn2)n1)N1CCNCC1c1cccnc1.
What is the InChIKey of 1-(2-pyridin-3-ylpiperazin-1-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone;dihydrochloride?
The InChIKey is QEVQVZNPHUGTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS.2ClH/c25-18(10-15-13-26-19(23-15)16-5-1-2-7-22-16)24-9-8-21-12-17(24)14-4-3-6-20-11-14;;/h1-7,11,13,17,21H,8-10,12H2;2*1H.
What are the key properties of 1-(2-pyridin-3-ylpiperazin-1-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone;dihydrochloride?
1-(2-pyridin-3-ylpiperazin-1-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone;dihydrochloride has a molecular weight of 438.38 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-3-ylpiperazin-1-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone;dihydrochloride is sourced from PubChem (CID 120730871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).