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

C21H19N3O2S — CID 8796842

IUPAC1-benzofuran-2-yl-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc2ccccc2o1)N1CCN(Cc2nc3ccccc3s2)CC1
InChIInChI=1S/C21H19N3O2S/c25-21(18-13-15-5-1-3-7-17(15)26-18)24-11-9-23(10-12-24)14-20-22-16-6-2-4-8-19(16)27-20/h1-8,13H,9-12,14H2
InChIKeyQVTRCEXPWFUXIQ-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.00
Rot. Bonds3

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

1-benzofuran-2-yl-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 8796842) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID8796842
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC Name1-benzofuran-2-yl-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc2ccccc2o1)N1CCN(Cc2nc3ccccc3s2)CC1
InChIInChI=1S/C21H19N3O2S/c25-21(18-13-15-5-1-3-7-17(15)26-18)24-11-9-23(10-12-24)14-20-22-16-6-2-4-8-19(16)27-20/h1-8,13H,9-12,14H2
InChIKeyQVTRCEXPWFUXIQ-UHFFFAOYSA-N
XLogP4.00
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of 1-benzofuran-2-yl-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methanone (CID 8796842) is 1-benzofuran-2-yl-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for 1-benzofuran-2-yl-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for 1-benzofuran-2-yl-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methanone is O=C(c1cc2ccccc2o1)N1CCN(Cc2nc3ccccc3s2)CC1.
What is the InChIKey of 1-benzofuran-2-yl-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is QVTRCEXPWFUXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c25-21(18-13-15-5-1-3-7-17(15)26-18)24-11-9-23(10-12-24)14-20-22-16-6-2-4-8-19(16)27-20/h1-8,13H,9-12,14H2.
What are the key properties of 1-benzofuran-2-yl-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methanone?
1-benzofuran-2-yl-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 377.47 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 8796842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).