1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]ethanone

C14H17N3OS — CID 9238411

IUPAC1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2nc3ccccc3s2)CC1
InChIInChI=1S/C14H17N3OS/c1-11(18)17-8-6-16(7-9-17)10-14-15-12-4-2-3-5-13(12)19-14/h2-5H,6-10H2,1H3
InChIKeyKHUXIHNNEVLNAA-UHFFFAOYSA-N
MW275.38 g/mol
LogP1.96
Rot. Bonds2

About 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]ethanone

1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 9238411) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]ethanone
PubChem CID9238411
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2nc3ccccc3s2)CC1
InChIInChI=1S/C14H17N3OS/c1-11(18)17-8-6-16(7-9-17)10-14-15-12-4-2-3-5-13(12)19-14/h2-5H,6-10H2,1H3
InChIKeyKHUXIHNNEVLNAA-UHFFFAOYSA-N
XLogP1.96
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-oxoethyl] acetate
CID 9239432
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-cyclopentylmethanone
CID 9238768
N-[5-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]thiophen-2-yl]acetamide
CID 31748019
1-(4-acetylpiperazin-1-yl)-3-(1,3-benzothiazol-2-yl)propan-1-one
CID 4780297
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 9238489
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(2-hydroxycyclopentyl)methanone
CID 110015097
1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-4-phenylbutane-1,4-dione
CID 9239348
2-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 112764820
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 9238002
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 122159174
1-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 9225905
3-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 9225895

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]ethanone (CID 9238411) is 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(Cc2nc3ccccc3s2)CC1.
What is the InChIKey of 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is KHUXIHNNEVLNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-11(18)17-8-6-16(7-9-17)10-14-15-12-4-2-3-5-13(12)19-14/h2-5H,6-10H2,1H3.
What are the key properties of 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]ethanone?
1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 275.38 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 9238411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).