(4-aminooxolan-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

C12H18N4O2S — CID 66240592

IUPAC(4-aminooxolan-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESNC1COCC1C(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C12H18N4O2S/c13-10-8-18-7-9(10)11(17)15-2-4-16(5-3-15)12-14-1-6-19-12/h1,6,9-10H,2-5,7-8,13H2
InChIKeyFVUIJEPNXJSUHM-UHFFFAOYSA-N
MW282.37 g/mol
LogP-0.23
Rot. Bonds2

About (4-aminooxolan-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

(4-aminooxolan-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 66240592) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is (4-aminooxolan-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-aminooxolan-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID66240592
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name(4-aminooxolan-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESNC1COCC1C(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C12H18N4O2S/c13-10-8-18-7-9(10)11(17)15-2-4-16(5-3-15)12-14-1-6-19-12/h1,6,9-10H,2-5,7-8,13H2
InChIKeyFVUIJEPNXJSUHM-UHFFFAOYSA-N
XLogP-0.23
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-aminooxolan-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (4-aminooxolan-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 66240592) is (4-aminooxolan-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-aminooxolan-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (4-aminooxolan-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is NC1COCC1C(=O)N1CCN(c2nccs2)CC1.
What is the InChIKey of (4-aminooxolan-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is FVUIJEPNXJSUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c13-10-8-18-7-9(10)11(17)15-2-4-16(5-3-15)12-14-1-6-19-12/h1,6,9-10H,2-5,7-8,13H2.
What are the key properties of (4-aminooxolan-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
(4-aminooxolan-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 282.37 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminooxolan-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 66240592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).