1-[4-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]phenyl]ethanone

C18H23N3OS — CID 22893126

IUPAC1-[4-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2csc(CCN3CCN(C)CC3)n2)cc1
InChIInChI=1S/C18H23N3OS/c1-14(22)15-3-5-16(6-4-15)17-13-23-18(19-17)7-8-21-11-9-20(2)10-12-21/h3-6,13H,7-12H2,1-2H3
InChIKeyJGJKIDUPJBHNQX-UHFFFAOYSA-N
MW329.47 g/mol
LogP2.80
Rot. Bonds5

About 1-[4-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]phenyl]ethanone

1-[4-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]phenyl]ethanone (PubChem CID 22893126) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 1-[4-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]phenyl]ethanone
PubChem CID22893126
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name1-[4-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2csc(CCN3CCN(C)CC3)n2)cc1
InChIInChI=1S/C18H23N3OS/c1-14(22)15-3-5-16(6-4-15)17-13-23-18(19-17)7-8-21-11-9-20(2)10-12-21/h3-6,13H,7-12H2,1-2H3
InChIKeyJGJKIDUPJBHNQX-UHFFFAOYSA-N
XLogP2.80
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]aniline
CID 82098070
2-[(4-methylpiperazin-1-yl)methyl]-4-(4-prop-1-en-2-ylphenyl)-1,3-thiazole
CID 142085789
1-[4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]phenyl]ethanone
CID 21135766
1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethanone
CID 117368603
1-[4-[2-[1-(2-hydroxyethyl)piperidin-4-yl]-1,3-thiazol-4-yl]phenyl]ethanone
CID 22893123
N-(4-acetylphenyl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide;oxalic acid
CID 71780538
4-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-4-yl]aniline
CID 82098071
2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]propan-2-ol
CID 82515229
4-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]benzoic acid
CID 63152487
2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]propan-2-amine
CID 82515228
4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]benzoic acid
CID 58256826
4-[2-(cyclopentylmethyl)-1,3-thiazol-4-yl]benzoic acid
CID 58256814

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]phenyl]ethanone (CID 22893126) is 1-[4-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]phenyl]ethanone is CC(=O)c1ccc(-c2csc(CCN3CCN(C)CC3)n2)cc1.
What is the InChIKey of 1-[4-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]phenyl]ethanone?
The InChIKey is JGJKIDUPJBHNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-14(22)15-3-5-16(6-4-15)17-13-23-18(19-17)7-8-21-11-9-20(2)10-12-21/h3-6,13H,7-12H2,1-2H3.
What are the key properties of 1-[4-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]phenyl]ethanone?
1-[4-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]phenyl]ethanone has a molecular weight of 329.47 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]phenyl]ethanone is sourced from PubChem (CID 22893126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).