2-prop-2-enylimino-1,3-thiazolidin-4-one;hydrobromide

C6H9BrN2OS — CID 136948314

IUPAC2-prop-2-enylimino-1,3-thiazolidin-4-one;hydrobromide
SMILESBr.C=CC/N=C1/NC(=O)CS1
InChIInChI=1S/C6H8N2OS.BrH/c1-2-3-7-6-8-5(9)4-10-6;/h2H,1,3-4H2,(H,7,8,9);1H
InChIKeyZTCVGVQGNXSMQJ-UHFFFAOYSA-N
MW237.12 g/mol
LogP0.97
Rot. Bonds2

About 2-prop-2-enylimino-1,3-thiazolidin-4-one;hydrobromide

2-prop-2-enylimino-1,3-thiazolidin-4-one;hydrobromide (PubChem CID 136948314) has the molecular formula C6H9BrN2OS and a molecular weight of 237.12 g/mol. Its IUPAC name is 2-prop-2-enylimino-1,3-thiazolidin-4-one;hydrobromide.

Molecular Properties

Compound Name2-prop-2-enylimino-1,3-thiazolidin-4-one;hydrobromide
PubChem CID136948314
Molecular FormulaC6H9BrN2OS
Molecular Weight237.12 g/mol
Exact Mass235.96
IUPAC Name2-prop-2-enylimino-1,3-thiazolidin-4-one;hydrobromide
SMILESBr.C=CC/N=C1/NC(=O)CS1
InChIInChI=1S/C6H8N2OS.BrH/c1-2-3-7-6-8-5(9)4-10-6;/h2H,1,3-4H2,(H,7,8,9);1H
InChIKeyZTCVGVQGNXSMQJ-UHFFFAOYSA-N
XLogP0.97
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.12
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylimino-1,3-thiazolidin-4-one;hydrobromide?
The IUPAC name of 2-prop-2-enylimino-1,3-thiazolidin-4-one;hydrobromide (CID 136948314) is 2-prop-2-enylimino-1,3-thiazolidin-4-one;hydrobromide.
What is the SMILES notation for 2-prop-2-enylimino-1,3-thiazolidin-4-one;hydrobromide?
The canonical SMILES for 2-prop-2-enylimino-1,3-thiazolidin-4-one;hydrobromide is Br.C=CC/N=C1/NC(=O)CS1.
What is the InChIKey of 2-prop-2-enylimino-1,3-thiazolidin-4-one;hydrobromide?
The InChIKey is ZTCVGVQGNXSMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS.BrH/c1-2-3-7-6-8-5(9)4-10-6;/h2H,1,3-4H2,(H,7,8,9);1H.
What are the key properties of 2-prop-2-enylimino-1,3-thiazolidin-4-one;hydrobromide?
2-prop-2-enylimino-1,3-thiazolidin-4-one;hydrobromide has a molecular weight of 237.12 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylimino-1,3-thiazolidin-4-one;hydrobromide is sourced from PubChem (CID 136948314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).