[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone

C18H19N3O3S — CID 7539030

IUPAC[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESCCOc1ccc2nc(N3CCN(C(=O)c4ccco4)CC3)sc2c1
InChIInChI=1S/C18H19N3O3S/c1-2-23-13-5-6-14-16(12-13)25-18(19-14)21-9-7-20(8-10-21)17(22)15-4-3-11-24-15/h3-6,11-12H,2,7-10H2,1H3
InChIKeyFSLSWGMXQRRRRK-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.25
Rot. Bonds4

About [4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone

[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 7539030) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is [4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID7539030
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESCCOc1ccc2nc(N3CCN(C(=O)c4ccco4)CC3)sc2c1
InChIInChI=1S/C18H19N3O3S/c1-2-23-13-5-6-14-16(12-13)25-18(19-14)21-9-7-20(8-10-21)17(22)15-4-3-11-24-15/h3-6,11-12H,2,7-10H2,1H3
InChIKeyFSLSWGMXQRRRRK-UHFFFAOYSA-N
XLogP3.25
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone (CID 7539030) is [4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone is CCOc1ccc2nc(N3CCN(C(=O)c4ccco4)CC3)sc2c1.
What is the InChIKey of [4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is FSLSWGMXQRRRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-2-23-13-5-6-14-16(12-13)25-18(19-14)21-9-7-20(8-10-21)17(22)15-4-3-11-24-15/h3-6,11-12H,2,7-10H2,1H3.
What are the key properties of [4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone?
[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 357.44 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 7539030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).