2-prop-1-enyl-1,3-thiazolidin-4-one

C6H9NOS — CID 142636139

IUPAC2-prop-1-enyl-1,3-thiazolidin-4-one
SMILESCC=CC1NC(=O)CS1
InChIInChI=1S/C6H9NOS/c1-2-3-6-7-5(8)4-9-6/h2-3,6H,4H2,1H3,(H,7,8)
InChIKeyDMRVBSMKINQQSF-UHFFFAOYSA-N
MW143.21 g/mol
LogP0.75
Rot. Bonds1

About 2-prop-1-enyl-1,3-thiazolidin-4-one

2-prop-1-enyl-1,3-thiazolidin-4-one (PubChem CID 142636139) has the molecular formula C6H9NOS and a molecular weight of 143.21 g/mol. Its IUPAC name is 2-prop-1-enyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-prop-1-enyl-1,3-thiazolidin-4-one
PubChem CID142636139
Molecular FormulaC6H9NOS
Molecular Weight143.21 g/mol
Exact Mass143.04
IUPAC Name2-prop-1-enyl-1,3-thiazolidin-4-one
SMILESCC=CC1NC(=O)CS1
InChIInChI=1S/C6H9NOS/c1-2-3-6-7-5(8)4-9-6/h2-3,6H,4H2,1H3,(H,7,8)
InChIKeyDMRVBSMKINQQSF-UHFFFAOYSA-N
XLogP0.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylsulfanyl-1,3-thiazolidin-4-one
CID 144806375
2-amino-1,3-thiazolidin-4-one
CID 15292580
4-oxo-1,3-thiazolidine-2-carboxamide
CID 87540653
3-[(E)-prop-1-enyl]pyrrolidine-2,5-dione
CID 21217415
2-hexyl-1,3-thiazolidin-4-one
CID 134090286
2-(2-methylphenyl)-1,3-thiazolidin-4-one
CID 23215000
3-[(E)-prop-1-enyl]azepan-2-one
CID 153399753
2-[[1,3-dioxo-4,6-bis(prop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]methyl]-4,6-bis(prop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 157315258
2-methylidene-3-[(Z)-prop-1-enyl]cyclopentan-1-one
CID 5384425
5,5-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazinan-2-one
CID 144545689
2-(4-bromophenyl)-1,3-thiazolidin-4-one
CID 102552104
trans-(1S,2S)-1,2-bis[(E)-prop-1-enyl]cyclopropane
CID 134897688

Frequently Asked Questions

What is the IUPAC name of 2-prop-1-enyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-prop-1-enyl-1,3-thiazolidin-4-one (CID 142636139) is 2-prop-1-enyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-prop-1-enyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-prop-1-enyl-1,3-thiazolidin-4-one is CC=CC1NC(=O)CS1.
What is the InChIKey of 2-prop-1-enyl-1,3-thiazolidin-4-one?
The InChIKey is DMRVBSMKINQQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NOS/c1-2-3-6-7-5(8)4-9-6/h2-3,6H,4H2,1H3,(H,7,8).
What are the key properties of 2-prop-1-enyl-1,3-thiazolidin-4-one?
2-prop-1-enyl-1,3-thiazolidin-4-one has a molecular weight of 143.21 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-enyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 142636139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).