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

C12H18N4O2S — CID 64893723

IUPAC(3-aminooxolan-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESNC1(C(=O)N2CCN(c3nccs3)CC2)CCOC1
InChIInChI=1S/C12H18N4O2S/c13-12(1-7-18-9-12)10(17)15-3-5-16(6-4-15)11-14-2-8-19-11/h2,8H,1,3-7,9,13H2
InChIKeyFNBVTEJWBZJJER-UHFFFAOYSA-N
MW282.37 g/mol
LogP-0.09
Rot. Bonds2

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

(3-aminooxolan-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 64893723) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is (3-aminooxolan-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminooxolan-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID64893723
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name(3-aminooxolan-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESNC1(C(=O)N2CCN(c3nccs3)CC2)CCOC1
InChIInChI=1S/C12H18N4O2S/c13-12(1-7-18-9-12)10(17)15-3-5-16(6-4-15)11-14-2-8-19-11/h2,8H,1,3-7,9,13H2
InChIKeyFNBVTEJWBZJJER-UHFFFAOYSA-N
XLogP-0.09
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 ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-aminooxolan-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (3-aminooxolan-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 64893723) is (3-aminooxolan-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-aminooxolan-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3-aminooxolan-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is NC1(C(=O)N2CCN(c3nccs3)CC2)CCOC1.
What is the InChIKey of (3-aminooxolan-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is FNBVTEJWBZJJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c13-12(1-7-18-9-12)10(17)15-3-5-16(6-4-15)11-14-2-8-19-11/h2,8H,1,3-7,9,13H2.
What are the key properties of (3-aminooxolan-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
(3-aminooxolan-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 282.37 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminooxolan-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 64893723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).