1-(4-butan-2-ylpiperazin-1-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone

C20H27N3OS — CID 154784489

IUPAC1-(4-butan-2-ylpiperazin-1-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone
SMILESCCC(C)N1CCN(C(=O)Cc2csc(-c3ccc(C)cc3)n2)CC1
InChIInChI=1S/C20H27N3OS/c1-4-16(3)22-9-11-23(12-10-22)19(24)13-18-14-25-20(21-18)17-7-5-15(2)6-8-17/h5-8,14,16H,4,9-13H2,1-3H3
InChIKeyVHOAUCLAGPVAIA-UHFFFAOYSA-N
MW357.52 g/mol
LogP3.60
Rot. Bonds5

About 1-(4-butan-2-ylpiperazin-1-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone

1-(4-butan-2-ylpiperazin-1-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone (PubChem CID 154784489) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is 1-(4-butan-2-ylpiperazin-1-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-(4-butan-2-ylpiperazin-1-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone
PubChem CID154784489
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC Name1-(4-butan-2-ylpiperazin-1-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone
SMILESCCC(C)N1CCN(C(=O)Cc2csc(-c3ccc(C)cc3)n2)CC1
InChIInChI=1S/C20H27N3OS/c1-4-16(3)22-9-11-23(12-10-22)19(24)13-18-14-25-20(21-18)17-7-5-15(2)6-8-17/h5-8,14,16H,4,9-13H2,1-3H3
InChIKeyVHOAUCLAGPVAIA-UHFFFAOYSA-N
XLogP3.60
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone
CID 39305192
2-methyl-1-[4-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]-2-phenylpropan-1-one
CID 55564528
N-[4-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]phenyl]acetamide
CID 110342188
1-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 46446075
1-[3-(methylamino)piperidin-1-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone
CID 119488489
1-(azepan-1-yl)-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone
CID 39080861
1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 27041100
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 110026613
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-[4-(3-fluorobenzoyl)piperazin-1-yl]ethanone
CID 112817620
3-(dimethylamino)-1-[4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110617904
1-(3,5-dimethylpiperidin-1-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]ethanone
CID 112772042
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone
CID 119402790

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylpiperazin-1-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-(4-butan-2-ylpiperazin-1-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone (CID 154784489) is 1-(4-butan-2-ylpiperazin-1-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-(4-butan-2-ylpiperazin-1-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-(4-butan-2-ylpiperazin-1-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone is CCC(C)N1CCN(C(=O)Cc2csc(-c3ccc(C)cc3)n2)CC1.
What is the InChIKey of 1-(4-butan-2-ylpiperazin-1-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is VHOAUCLAGPVAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-4-16(3)22-9-11-23(12-10-22)19(24)13-18-14-25-20(21-18)17-7-5-15(2)6-8-17/h5-8,14,16H,4,9-13H2,1-3H3.
What are the key properties of 1-(4-butan-2-ylpiperazin-1-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone?
1-(4-butan-2-ylpiperazin-1-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 357.52 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylpiperazin-1-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 154784489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).