3-(1-aminopropan-2-yl)-1,3-thiazolidine-2,4-dione;hydrochloride

C6H11ClN2O2S — CID 86262726

IUPAC3-(1-aminopropan-2-yl)-1,3-thiazolidine-2,4-dione;hydrochloride
SMILESCC(CN)N1C(=O)CSC1=O.Cl
InChIInChI=1S/C6H10N2O2S.ClH/c1-4(2-7)8-5(9)3-11-6(8)10;/h4H,2-3,7H2,1H3;1H
InChIKeyZZDQQPPAKMJLFQ-UHFFFAOYSA-N
MW210.69 g/mol
LogP0.45
Rot. Bonds2

About 3-(1-aminopropan-2-yl)-1,3-thiazolidine-2,4-dione;hydrochloride

3-(1-aminopropan-2-yl)-1,3-thiazolidine-2,4-dione;hydrochloride (PubChem CID 86262726) has the molecular formula C6H11ClN2O2S and a molecular weight of 210.69 g/mol. Its IUPAC name is 3-(1-aminopropan-2-yl)-1,3-thiazolidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name3-(1-aminopropan-2-yl)-1,3-thiazolidine-2,4-dione;hydrochloride
PubChem CID86262726
Molecular FormulaC6H11ClN2O2S
Molecular Weight210.69 g/mol
Exact Mass210.02
IUPAC Name3-(1-aminopropan-2-yl)-1,3-thiazolidine-2,4-dione;hydrochloride
SMILESCC(CN)N1C(=O)CSC1=O.Cl
InChIInChI=1S/C6H10N2O2S.ClH/c1-4(2-7)8-5(9)3-11-6(8)10;/h4H,2-3,7H2,1H3;1H
InChIKeyZZDQQPPAKMJLFQ-UHFFFAOYSA-N
XLogP0.45
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.69
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

4-(1-aminopropan-2-yl)-5,6-dimethyl-1,4-thiazin-3-one
CID 82506166
4-(1-aminopropan-2-yl)-6-ethyl-5-methyl-1,4-thiazin-3-one
CID 82508975
2-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide
CID 130650920
methyl (2S,3S)-2-amino-3-(2,4-dioxo-1,3-thiazolidin-3-yl)butanoate
CID 99737774
4-(1-amino-3-methylbutan-2-yl)thiomorpholine-3,5-dione
CID 104571018
3-[(3S)-2,4-dimethylpent-1-en-3-yl]-1,3-thiazolidine-2,4-dione
CID 11658566
3-[(2S)-1-aminopropan-2-yl]-1,3-oxazolidine-2,4-dione
CID 99737584
2-methylidene-3-propan-2-yl-1,3-thiazolidin-4-one
CID 145121125
5-(1-aminopropan-2-yl)thieno[3,4-c]pyrrole-4,6-dione
CID 130580580
4-[(2R)-1-hydroxypropan-2-yl]thiomorpholine-3,5-dione
CID 104570938
6-amino-4-(4-aminobutan-2-yl)-1,4-benzothiazin-3-one
CID 117040210
3-[(2S)-3-methyl-1-phenylbut-3-en-2-yl]-1,3-thiazolidine-2,4-dione
CID 102164336

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminopropan-2-yl)-1,3-thiazolidine-2,4-dione;hydrochloride?
The IUPAC name of 3-(1-aminopropan-2-yl)-1,3-thiazolidine-2,4-dione;hydrochloride (CID 86262726) is 3-(1-aminopropan-2-yl)-1,3-thiazolidine-2,4-dione;hydrochloride.
What is the SMILES notation for 3-(1-aminopropan-2-yl)-1,3-thiazolidine-2,4-dione;hydrochloride?
The canonical SMILES for 3-(1-aminopropan-2-yl)-1,3-thiazolidine-2,4-dione;hydrochloride is CC(CN)N1C(=O)CSC1=O.Cl.
What is the InChIKey of 3-(1-aminopropan-2-yl)-1,3-thiazolidine-2,4-dione;hydrochloride?
The InChIKey is ZZDQQPPAKMJLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S.ClH/c1-4(2-7)8-5(9)3-11-6(8)10;/h4H,2-3,7H2,1H3;1H.
What are the key properties of 3-(1-aminopropan-2-yl)-1,3-thiazolidine-2,4-dione;hydrochloride?
3-(1-aminopropan-2-yl)-1,3-thiazolidine-2,4-dione;hydrochloride has a molecular weight of 210.69 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminopropan-2-yl)-1,3-thiazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 86262726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).