2-(1,3-thiazolidin-2-yl)acetic acid;hydrochloride

C5H10ClNO2S — CID 13451616

IUPAC2-(1,3-thiazolidin-2-yl)acetic acid;hydrochloride
SMILESCl.O=C(O)CC1NCCS1
InChIInChI=1S/C5H9NO2S.ClH/c7-5(8)3-4-6-1-2-9-4;/h4,6H,1-3H2,(H,7,8);1H
InChIKeyLWRXGWGVIPCGKB-UHFFFAOYSA-N
MW183.66 g/mol
LogP0.55
Rot. Bonds2

About 2-(1,3-thiazolidin-2-yl)acetic acid;hydrochloride

2-(1,3-thiazolidin-2-yl)acetic acid;hydrochloride (PubChem CID 13451616) has the molecular formula C5H10ClNO2S and a molecular weight of 183.66 g/mol. Its IUPAC name is 2-(1,3-thiazolidin-2-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(1,3-thiazolidin-2-yl)acetic acid;hydrochloride
PubChem CID13451616
Molecular FormulaC5H10ClNO2S
Molecular Weight183.66 g/mol
Exact Mass183.01
IUPAC Name2-(1,3-thiazolidin-2-yl)acetic acid;hydrochloride
SMILESCl.O=C(O)CC1NCCS1
InChIInChI=1S/C5H9NO2S.ClH/c7-5(8)3-4-6-1-2-9-4;/h4,6H,1-3H2,(H,7,8);1H
InChIKeyLWRXGWGVIPCGKB-UHFFFAOYSA-N
XLogP0.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.66
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazolidin-2-yl)acetic acid;hydrochloride?
The IUPAC name of 2-(1,3-thiazolidin-2-yl)acetic acid;hydrochloride (CID 13451616) is 2-(1,3-thiazolidin-2-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(1,3-thiazolidin-2-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(1,3-thiazolidin-2-yl)acetic acid;hydrochloride is Cl.O=C(O)CC1NCCS1.
What is the InChIKey of 2-(1,3-thiazolidin-2-yl)acetic acid;hydrochloride?
The InChIKey is LWRXGWGVIPCGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2S.ClH/c7-5(8)3-4-6-1-2-9-4;/h4,6H,1-3H2,(H,7,8);1H.
What are the key properties of 2-(1,3-thiazolidin-2-yl)acetic acid;hydrochloride?
2-(1,3-thiazolidin-2-yl)acetic acid;hydrochloride has a molecular weight of 183.66 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazolidin-2-yl)acetic acid;hydrochloride is sourced from PubChem (CID 13451616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).