(4R)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]oxolan-2-one

C12H15N3O3S — CID 118196684

IUPAC(4R)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]oxolan-2-one
SMILESO=C1C[C@@H](N2CCN(C(=O)c3nccs3)CC2)CO1
InChIInChI=1S/C12H15N3O3S/c16-10-7-9(8-18-10)14-2-4-15(5-3-14)12(17)11-13-1-6-19-11/h1,6,9H,2-5,7-8H2/t9-/m1/s1
InChIKeyIZCLWRWLXLNTMS-SECBINFHSA-N
MW281.34 g/mol
LogP0.22
Rot. Bonds2

About (4R)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]oxolan-2-one

(4R)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]oxolan-2-one (PubChem CID 118196684) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is (4R)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]oxolan-2-one.

Molecular Properties

Compound Name(4R)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]oxolan-2-one
PubChem CID118196684
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name(4R)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]oxolan-2-one
SMILESO=C1C[C@@H](N2CCN(C(=O)c3nccs3)CC2)CO1
InChIInChI=1S/C12H15N3O3S/c16-10-7-9(8-18-10)14-2-4-15(5-3-14)12(17)11-13-1-6-19-11/h1,6,9H,2-5,7-8H2/t9-/m1/s1
InChIKeyIZCLWRWLXLNTMS-SECBINFHSA-N
XLogP0.22
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]oxolan-2-one?
The IUPAC name of (4R)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]oxolan-2-one (CID 118196684) is (4R)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]oxolan-2-one.
What is the SMILES notation for (4R)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]oxolan-2-one?
The canonical SMILES for (4R)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]oxolan-2-one is O=C1C[C@@H](N2CCN(C(=O)c3nccs3)CC2)CO1.
What is the InChIKey of (4R)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]oxolan-2-one?
The InChIKey is IZCLWRWLXLNTMS-SECBINFHSA-N. The full InChI is InChI=1S/C12H15N3O3S/c16-10-7-9(8-18-10)14-2-4-15(5-3-14)12(17)11-13-1-6-19-11/h1,6,9H,2-5,7-8H2/t9-/m1/s1.
What are the key properties of (4R)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]oxolan-2-one?
(4R)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]oxolan-2-one has a molecular weight of 281.34 g/mol, XLogP of 0.22, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]oxolan-2-one is sourced from PubChem (CID 118196684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).