2-[(Z)-prop-1-enyl]-1,3-thiazolidine

C6H11NS — CID 90944698

IUPAC2-[(Z)-prop-1-enyl]-1,3-thiazolidine
SMILESC/C=C\C1NCCS1
InChIInChI=1S/C6H11NS/c1-2-3-6-7-4-5-8-6/h2-3,6-7H,4-5H2,1H3/b3-2-
InChIKeyCVGBHKPKRGFWRQ-IHWYPQMZSA-N
MW129.23 g/mol
LogP1.23
Rot. Bonds1

About 2-[(Z)-prop-1-enyl]-1,3-thiazolidine

2-[(Z)-prop-1-enyl]-1,3-thiazolidine (PubChem CID 90944698) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is 2-[(Z)-prop-1-enyl]-1,3-thiazolidine.

Molecular Properties

Compound Name2-[(Z)-prop-1-enyl]-1,3-thiazolidine
PubChem CID90944698
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name2-[(Z)-prop-1-enyl]-1,3-thiazolidine
SMILESC/C=C\C1NCCS1
InChIInChI=1S/C6H11NS/c1-2-3-6-7-4-5-8-6/h2-3,6-7H,4-5H2,1H3/b3-2-
InChIKeyCVGBHKPKRGFWRQ-IHWYPQMZSA-N
XLogP1.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-prop-1-enyl]-1,3-thiazolidine?
The IUPAC name of 2-[(Z)-prop-1-enyl]-1,3-thiazolidine (CID 90944698) is 2-[(Z)-prop-1-enyl]-1,3-thiazolidine.
What is the SMILES notation for 2-[(Z)-prop-1-enyl]-1,3-thiazolidine?
The canonical SMILES for 2-[(Z)-prop-1-enyl]-1,3-thiazolidine is C/C=C\C1NCCS1.
What is the InChIKey of 2-[(Z)-prop-1-enyl]-1,3-thiazolidine?
The InChIKey is CVGBHKPKRGFWRQ-IHWYPQMZSA-N. The full InChI is InChI=1S/C6H11NS/c1-2-3-6-7-4-5-8-6/h2-3,6-7H,4-5H2,1H3/b3-2-.
What are the key properties of 2-[(Z)-prop-1-enyl]-1,3-thiazolidine?
2-[(Z)-prop-1-enyl]-1,3-thiazolidine has a molecular weight of 129.23 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-prop-1-enyl]-1,3-thiazolidine is sourced from PubChem (CID 90944698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).