2-(3-hydroxypropylimino)-1,3-thiazolidin-4-one

C6H10N2O2S — CID 137163338

IUPAC2-(3-hydroxypropylimino)-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\CCCO)N1
InChIInChI=1S/C6H10N2O2S/c9-3-1-2-7-6-8-5(10)4-11-6/h9H,1-4H2,(H,7,8,10)
InChIKeyGNOYJGMTMPKBHF-UHFFFAOYSA-N
MW174.22 g/mol
LogP-0.41
Rot. Bonds3

About 2-(3-hydroxypropylimino)-1,3-thiazolidin-4-one

2-(3-hydroxypropylimino)-1,3-thiazolidin-4-one (PubChem CID 137163338) has the molecular formula C6H10N2O2S and a molecular weight of 174.22 g/mol. Its IUPAC name is 2-(3-hydroxypropylimino)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-hydroxypropylimino)-1,3-thiazolidin-4-one
PubChem CID137163338
Molecular FormulaC6H10N2O2S
Molecular Weight174.22 g/mol
Exact Mass174.05
IUPAC Name2-(3-hydroxypropylimino)-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\CCCO)N1
InChIInChI=1S/C6H10N2O2S/c9-3-1-2-7-6-8-5(10)4-11-6/h9H,1-4H2,(H,7,8,10)
InChIKeyGNOYJGMTMPKBHF-UHFFFAOYSA-N
XLogP-0.41
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropylimino)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-hydroxypropylimino)-1,3-thiazolidin-4-one (CID 137163338) is 2-(3-hydroxypropylimino)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-hydroxypropylimino)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-hydroxypropylimino)-1,3-thiazolidin-4-one is O=C1CS/C(=N\CCCO)N1.
What is the InChIKey of 2-(3-hydroxypropylimino)-1,3-thiazolidin-4-one?
The InChIKey is GNOYJGMTMPKBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S/c9-3-1-2-7-6-8-5(10)4-11-6/h9H,1-4H2,(H,7,8,10).
What are the key properties of 2-(3-hydroxypropylimino)-1,3-thiazolidin-4-one?
2-(3-hydroxypropylimino)-1,3-thiazolidin-4-one has a molecular weight of 174.22 g/mol, XLogP of -0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropylimino)-1,3-thiazolidin-4-one is sourced from PubChem (CID 137163338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).