4-[(4S)-1,3-thiazolidine-4-carbonyl]piperazin-2-one;hydrochloride

C8H14ClN3O2S — CID 119267084

IUPAC4-[(4S)-1,3-thiazolidine-4-carbonyl]piperazin-2-one;hydrochloride
SMILESCl.O=C1CN(C(=O)[C@H]2CSCN2)CCN1
InChIInChI=1S/C8H13N3O2S.ClH/c12-7-3-11(2-1-9-7)8(13)6-4-14-5-10-6;/h6,10H,1-5H2,(H,9,12);1H/t6-;/m1./s1
InChIKeyMVZLHUIUAUNYSI-FYZOBXCZSA-N
MW251.74 g/mol
LogP-0.97
Rot. Bonds1

About 4-[(4S)-1,3-thiazolidine-4-carbonyl]piperazin-2-one;hydrochloride

4-[(4S)-1,3-thiazolidine-4-carbonyl]piperazin-2-one;hydrochloride (PubChem CID 119267084) has the molecular formula C8H14ClN3O2S and a molecular weight of 251.74 g/mol. Its IUPAC name is 4-[(4S)-1,3-thiazolidine-4-carbonyl]piperazin-2-one;hydrochloride.

Molecular Properties

Compound Name4-[(4S)-1,3-thiazolidine-4-carbonyl]piperazin-2-one;hydrochloride
PubChem CID119267084
Molecular FormulaC8H14ClN3O2S
Molecular Weight251.74 g/mol
Exact Mass251.05
IUPAC Name4-[(4S)-1,3-thiazolidine-4-carbonyl]piperazin-2-one;hydrochloride
SMILESCl.O=C1CN(C(=O)[C@H]2CSCN2)CCN1
InChIInChI=1S/C8H13N3O2S.ClH/c12-7-3-11(2-1-9-7)8(13)6-4-14-5-10-6;/h6,10H,1-5H2,(H,9,12);1H/t6-;/m1./s1
InChIKeyMVZLHUIUAUNYSI-FYZOBXCZSA-N
XLogP-0.97
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.74
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4S)-1,3-thiazolidine-4-carbonyl]piperazin-2-one;hydrochloride?
The IUPAC name of 4-[(4S)-1,3-thiazolidine-4-carbonyl]piperazin-2-one;hydrochloride (CID 119267084) is 4-[(4S)-1,3-thiazolidine-4-carbonyl]piperazin-2-one;hydrochloride.
What is the SMILES notation for 4-[(4S)-1,3-thiazolidine-4-carbonyl]piperazin-2-one;hydrochloride?
The canonical SMILES for 4-[(4S)-1,3-thiazolidine-4-carbonyl]piperazin-2-one;hydrochloride is Cl.O=C1CN(C(=O)[C@H]2CSCN2)CCN1.
What is the InChIKey of 4-[(4S)-1,3-thiazolidine-4-carbonyl]piperazin-2-one;hydrochloride?
The InChIKey is MVZLHUIUAUNYSI-FYZOBXCZSA-N. The full InChI is InChI=1S/C8H13N3O2S.ClH/c12-7-3-11(2-1-9-7)8(13)6-4-14-5-10-6;/h6,10H,1-5H2,(H,9,12);1H/t6-;/m1./s1.
What are the key properties of 4-[(4S)-1,3-thiazolidine-4-carbonyl]piperazin-2-one;hydrochloride?
4-[(4S)-1,3-thiazolidine-4-carbonyl]piperazin-2-one;hydrochloride has a molecular weight of 251.74 g/mol, XLogP of -0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4S)-1,3-thiazolidine-4-carbonyl]piperazin-2-one;hydrochloride is sourced from PubChem (CID 119267084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).