[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone

C16H15N3OS2 — CID 7136406

IUPAC[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(c2nc3ccccc3s2)CC1
InChIInChI=1S/C16H15N3OS2/c20-15(14-6-3-11-21-14)18-7-9-19(10-8-18)16-17-12-4-1-2-5-13(12)22-16/h1-6,11H,7-10H2
InChIKeyZOTKPMMFQUYABS-UHFFFAOYSA-N
MW329.45 g/mol
LogP3.32
Rot. Bonds2

About [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone

[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 7136406) has the molecular formula C16H15N3OS2 and a molecular weight of 329.45 g/mol. Its IUPAC name is [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID7136406
Molecular FormulaC16H15N3OS2
Molecular Weight329.45 g/mol
Exact Mass329.07
IUPAC Name[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(c2nc3ccccc3s2)CC1
InChIInChI=1S/C16H15N3OS2/c20-15(14-6-3-11-21-14)18-7-9-19(10-8-18)16-17-12-4-1-2-5-13(12)22-16/h1-6,11H,7-10H2
InChIKeyZOTKPMMFQUYABS-UHFFFAOYSA-N
XLogP3.32
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone (CID 7136406) is [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCN(c2nc3ccccc3s2)CC1.
What is the InChIKey of [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is ZOTKPMMFQUYABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS2/c20-15(14-6-3-11-21-14)18-7-9-19(10-8-18)16-17-12-4-1-2-5-13(12)22-16/h1-6,11H,7-10H2.
What are the key properties of [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 329.45 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 7136406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).