1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazole-6-carbonyl)piperazin-1-yl]ethanone

C14H19N3O2S — CID 110680555

IUPAC1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazole-6-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)C2CCc3ncsc3C2)CC1
InChIInChI=1S/C14H19N3O2S/c1-10(18)16-4-6-17(7-5-16)14(19)11-2-3-12-13(8-11)20-9-15-12/h9,11H,2-8H2,1H3
InChIKeyUYUBNETVUZANCF-UHFFFAOYSA-N
MW293.39 g/mol
LogP0.94
Rot. Bonds1

About 1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazole-6-carbonyl)piperazin-1-yl]ethanone

1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazole-6-carbonyl)piperazin-1-yl]ethanone (PubChem CID 110680555) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazole-6-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazole-6-carbonyl)piperazin-1-yl]ethanone
PubChem CID110680555
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazole-6-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)C2CCc3ncsc3C2)CC1
InChIInChI=1S/C14H19N3O2S/c1-10(18)16-4-6-17(7-5-16)14(19)11-2-3-12-13(8-11)20-9-15-12/h9,11H,2-8H2,1H3
InChIKeyUYUBNETVUZANCF-UHFFFAOYSA-N
XLogP0.94
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazole-6-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazole-6-carbonyl)piperazin-1-yl]ethanone (CID 110680555) is 1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazole-6-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazole-6-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazole-6-carbonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)C2CCc3ncsc3C2)CC1.
What is the InChIKey of 1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazole-6-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is UYUBNETVUZANCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-10(18)16-4-6-17(7-5-16)14(19)11-2-3-12-13(8-11)20-9-15-12/h9,11H,2-8H2,1H3.
What are the key properties of 1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazole-6-carbonyl)piperazin-1-yl]ethanone?
1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazole-6-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 293.39 g/mol, XLogP of 0.94, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazole-6-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110680555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).