1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone

C21H22N4OS — CID 27049046

IUPAC1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone
SMILESCc1cccc(N2CCN(C(=O)Cc3csc(-c4ccccn4)n3)CC2)c1
InChIInChI=1S/C21H22N4OS/c1-16-5-4-6-18(13-16)24-9-11-25(12-10-24)20(26)14-17-15-27-21(23-17)19-7-2-3-8-22-19/h2-8,13,15H,9-12,14H2,1H3
InChIKeyQBYPEZPPCXUJQK-UHFFFAOYSA-N
MW378.50 g/mol
LogP3.40
Rot. Bonds4

About 1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone

1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone (PubChem CID 27049046) has the molecular formula C21H22N4OS and a molecular weight of 378.50 g/mol. Its IUPAC name is 1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone
PubChem CID27049046
Molecular FormulaC21H22N4OS
Molecular Weight378.50 g/mol
Exact Mass378.15
IUPAC Name1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone
SMILESCc1cccc(N2CCN(C(=O)Cc3csc(-c4ccccn4)n3)CC2)c1
InChIInChI=1S/C21H22N4OS/c1-16-5-4-6-18(13-16)24-9-11-25(12-10-24)20(26)14-17-15-27-21(23-17)19-7-2-3-8-22-19/h2-8,13,15H,9-12,14H2,1H3
InChIKeyQBYPEZPPCXUJQK-UHFFFAOYSA-N
XLogP3.40
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 27041100
2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 110451007
1-morpholin-4-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone
CID 33236750
1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone
CID 51269760
1-[4-(3-methylphenyl)piperazin-1-yl]-2-(1,3-thiazol-4-yl)ethanone
CID 110854166
1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone
CID 56537169
1-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 27048907
1-[4-(3-methylphenyl)piperazin-1-yl]-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]ethanone
CID 30942475
1-(4-pyridin-4-ylpiperazin-1-yl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone
CID 51120580
1-[(3aR,7aR)-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone
CID 122141584
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone
CID 39348799
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-1-one
CID 110610717

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone (CID 27049046) is 1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone is Cc1cccc(N2CCN(C(=O)Cc3csc(-c4ccccn4)n3)CC2)c1.
What is the InChIKey of 1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone?
The InChIKey is QBYPEZPPCXUJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4OS/c1-16-5-4-6-18(13-16)24-9-11-25(12-10-24)20(26)14-17-15-27-21(23-17)19-7-2-3-8-22-19/h2-8,13,15H,9-12,14H2,1H3.
What are the key properties of 1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone?
1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone has a molecular weight of 378.50 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 27049046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).