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

C12H15N3O3S — CID 118196665

IUPAC(4R)-4-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]oxolan-2-one
SMILESO=C1C[C@@H](N2CCN(C(=O)c3cscn3)CC2)CO1
InChIInChI=1S/C12H15N3O3S/c16-11-5-9(6-18-11)14-1-3-15(4-2-14)12(17)10-7-19-8-13-10/h7-9H,1-6H2/t9-/m1/s1
InChIKeyWDLCNXIEPSCPTJ-SECBINFHSA-N
MW281.34 g/mol
LogP0.22
Rot. Bonds2

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

(4R)-4-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]oxolan-2-one (PubChem CID 118196665) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is (4R)-4-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]oxolan-2-one.

Molecular Properties

Compound Name(4R)-4-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]oxolan-2-one
PubChem CID118196665
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name(4R)-4-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]oxolan-2-one
SMILESO=C1C[C@@H](N2CCN(C(=O)c3cscn3)CC2)CO1
InChIInChI=1S/C12H15N3O3S/c16-11-5-9(6-18-11)14-1-3-15(4-2-14)12(17)10-7-19-8-13-10/h7-9H,1-6H2/t9-/m1/s1
InChIKeyWDLCNXIEPSCPTJ-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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Related Compounds

(4R)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]oxolan-2-one
CID 118196684
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(1,3-thiazol-4-yl)methanone
CID 63048030
[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95718041
[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 56904168
azocan-1-yl(1,3-thiazol-4-yl)methanone
CID 62045313
8-methyl-2-(1,3-thiazole-4-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 50979351
cyclopropyl-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone
CID 63049768
1-(3-iodophenyl)-4-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 118196814
(3-pyrrolidin-1-ylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 63049254
[4-(dimethylamino)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63037207
7-(1,3-thiazole-4-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79096465
(3,5-dimethylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 63038082

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]oxolan-2-one?
The IUPAC name of (4R)-4-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]oxolan-2-one (CID 118196665) is (4R)-4-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]oxolan-2-one.
What is the SMILES notation for (4R)-4-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]oxolan-2-one?
The canonical SMILES for (4R)-4-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]oxolan-2-one is O=C1C[C@@H](N2CCN(C(=O)c3cscn3)CC2)CO1.
What is the InChIKey of (4R)-4-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]oxolan-2-one?
The InChIKey is WDLCNXIEPSCPTJ-SECBINFHSA-N. The full InChI is InChI=1S/C12H15N3O3S/c16-11-5-9(6-18-11)14-1-3-15(4-2-14)12(17)10-7-19-8-13-10/h7-9H,1-6H2/t9-/m1/s1.
What are the key properties of (4R)-4-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]oxolan-2-one?
(4R)-4-[4-(1,3-thiazole-4-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-4-carbonyl)piperazin-1-yl]oxolan-2-one is sourced from PubChem (CID 118196665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).