[2-(2-chlorophenyl)piperazin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone

C20H19ClN4OS — CID 120739504

IUPAC[2-(2-chlorophenyl)piperazin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(-c2ccccn2)sc1C(=O)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C20H19ClN4OS/c1-13-18(27-19(24-13)16-8-4-5-9-23-16)20(26)25-11-10-22-12-17(25)14-6-2-3-7-15(14)21/h2-9,17,22H,10-12H2,1H3
InChIKeyJTFGPGSTBCQROQ-UHFFFAOYSA-N
MW398.92 g/mol
LogP3.95
Rot. Bonds3

About [2-(2-chlorophenyl)piperazin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone

[2-(2-chlorophenyl)piperazin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone (PubChem CID 120739504) has the molecular formula C20H19ClN4OS and a molecular weight of 398.92 g/mol. Its IUPAC name is [2-(2-chlorophenyl)piperazin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(2-chlorophenyl)piperazin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
PubChem CID120739504
Molecular FormulaC20H19ClN4OS
Molecular Weight398.92 g/mol
Exact Mass398.10
IUPAC Name[2-(2-chlorophenyl)piperazin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(-c2ccccn2)sc1C(=O)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C20H19ClN4OS/c1-13-18(27-19(24-13)16-8-4-5-9-23-16)20(26)25-11-10-22-12-17(25)14-6-2-3-7-15(14)21/h2-9,17,22H,10-12H2,1H3
InChIKeyJTFGPGSTBCQROQ-UHFFFAOYSA-N
XLogP3.95
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.92
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-ethylphenyl)piperazin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 120741303
[2-(3-chlorophenyl)piperazin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 120801878
[2-(4-ethylphenyl)piperazin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 120740905
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 120736920
(2-methylpiperazin-1-yl)-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 119473571
[2-(2-methoxyphenyl)piperazin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone
CID 120733413
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 120880763
[2-(2-chlorophenyl)piperazin-1-yl]-(4-methyl-3-pyridinyl)methanone
CID 120739700
[2-(2-chlorophenyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone;hydrochloride
CID 120738665
[2-(2-methoxyphenyl)piperazin-1-yl]-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride
CID 120733094
(3S)-1-(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxamide
CID 95137194
[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 51950849

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)piperazin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [2-(2-chlorophenyl)piperazin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone (CID 120739504) is [2-(2-chlorophenyl)piperazin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [2-(2-chlorophenyl)piperazin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [2-(2-chlorophenyl)piperazin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone is Cc1nc(-c2ccccn2)sc1C(=O)N1CCNCC1c1ccccc1Cl.
What is the InChIKey of [2-(2-chlorophenyl)piperazin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone?
The InChIKey is JTFGPGSTBCQROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4OS/c1-13-18(27-19(24-13)16-8-4-5-9-23-16)20(26)25-11-10-22-12-17(25)14-6-2-3-7-15(14)21/h2-9,17,22H,10-12H2,1H3.
What are the key properties of [2-(2-chlorophenyl)piperazin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone?
[2-(2-chlorophenyl)piperazin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone has a molecular weight of 398.92 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)piperazin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 120739504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).