1-benzofuran-2-yl-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]methanone

C21H19N3O3S — CID 30860561

IUPAC1-benzofuran-2-yl-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1cc2ccccc2o1)N1CCN(Cc2nc(-c3ccco3)cs2)CC1
InChIInChI=1S/C21H19N3O3S/c25-21(19-12-15-4-1-2-5-17(15)27-19)24-9-7-23(8-10-24)13-20-22-16(14-28-20)18-6-3-11-26-18/h1-6,11-12,14H,7-10,13H2
InChIKeyMTUNNWVFCHPSQJ-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.11
Rot. Bonds4

About 1-benzofuran-2-yl-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]methanone

1-benzofuran-2-yl-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]methanone (PubChem CID 30860561) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]methanone
PubChem CID30860561
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC Name1-benzofuran-2-yl-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1cc2ccccc2o1)N1CCN(Cc2nc(-c3ccco3)cs2)CC1
InChIInChI=1S/C21H19N3O3S/c25-21(19-12-15-4-1-2-5-17(15)27-19)24-9-7-23(8-10-24)13-20-22-16(14-28-20)18-6-3-11-26-18/h1-6,11-12,14H,7-10,13H2
InChIKeyMTUNNWVFCHPSQJ-UHFFFAOYSA-N
XLogP4.11
TPSA62.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of 1-benzofuran-2-yl-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]methanone (CID 30860561) is 1-benzofuran-2-yl-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for 1-benzofuran-2-yl-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for 1-benzofuran-2-yl-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]methanone is O=C(c1cc2ccccc2o1)N1CCN(Cc2nc(-c3ccco3)cs2)CC1.
What is the InChIKey of 1-benzofuran-2-yl-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is MTUNNWVFCHPSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c25-21(19-12-15-4-1-2-5-17(15)27-19)24-9-7-23(8-10-24)13-20-22-16(14-28-20)18-6-3-11-26-18/h1-6,11-12,14H,7-10,13H2.
What are the key properties of 1-benzofuran-2-yl-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]methanone?
1-benzofuran-2-yl-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 393.47 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 30860561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).