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

C19H19N5OS — CID 120728863

IUPAC1-(2-pyridin-3-ylpiperazin-1-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
SMILESO=C(Cc1csc(-c2cccnc2)n1)N1CCNCC1c1cccnc1
InChIInChI=1S/C19H19N5OS/c25-18(9-16-13-26-19(23-16)15-4-2-6-21-11-15)24-8-7-22-12-17(24)14-3-1-5-20-10-14/h1-6,10-11,13,17,22H,7-9,12H2
InChIKeySCYRUZBTRFHKBM-UHFFFAOYSA-N
MW365.46 g/mol
LogP2.32
Rot. Bonds4

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

1-(2-pyridin-3-ylpiperazin-1-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone (PubChem CID 120728863) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is 1-(2-pyridin-3-ylpiperazin-1-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-pyridin-3-ylpiperazin-1-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
PubChem CID120728863
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC Name1-(2-pyridin-3-ylpiperazin-1-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
SMILESO=C(Cc1csc(-c2cccnc2)n1)N1CCNCC1c1cccnc1
InChIInChI=1S/C19H19N5OS/c25-18(9-16-13-26-19(23-16)15-4-2-6-21-11-15)24-8-7-22-12-17(24)14-3-1-5-20-10-14/h1-6,10-11,13,17,22H,7-9,12H2
InChIKeySCYRUZBTRFHKBM-UHFFFAOYSA-N
XLogP2.32
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-(2-pyridin-3-ylpiperazin-1-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone;dihydrochloride
CID 120730871
2,2-dimethyl-N-[4-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]propanamide
CID 120731282
2-methyl-N-[4-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]propanamide;dihydrochloride
CID 120730837
1-piperazin-1-yl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 39161804
2-(4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120731250
3-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120731237
4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one
CID 120729213
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120730344
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
(4-bromothiophen-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731046
4-methyl-5-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 137047138

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-3-ylpiperazin-1-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-(2-pyridin-3-ylpiperazin-1-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone (CID 120728863) is 1-(2-pyridin-3-ylpiperazin-1-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-(2-pyridin-3-ylpiperazin-1-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-(2-pyridin-3-ylpiperazin-1-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone is O=C(Cc1csc(-c2cccnc2)n1)N1CCNCC1c1cccnc1.
What is the InChIKey of 1-(2-pyridin-3-ylpiperazin-1-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone?
The InChIKey is SCYRUZBTRFHKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS/c25-18(9-16-13-26-19(23-16)15-4-2-6-21-11-15)24-8-7-22-12-17(24)14-3-1-5-20-10-14/h1-6,10-11,13,17,22H,7-9,12H2.
What are the key properties of 1-(2-pyridin-3-ylpiperazin-1-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone?
1-(2-pyridin-3-ylpiperazin-1-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone has a molecular weight of 365.46 g/mol, XLogP of 2.32, 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-3-yl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 120728863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).