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

C7H13NS — CID 5352326

IUPAC2-[(Z)-but-2-enyl]-1,3-thiazolidine
SMILESC/C=C\CC1NCCS1
InChIInChI=1S/C7H13NS/c1-2-3-4-7-8-5-6-9-7/h2-3,7-8H,4-6H2,1H3/b3-2-
InChIKeyNVCZSVLOACZRHY-IHWYPQMZSA-N
MW143.25 g/mol
LogP1.62
Rot. Bonds2

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

2-[(Z)-but-2-enyl]-1,3-thiazolidine (PubChem CID 5352326) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 2-[(Z)-but-2-enyl]-1,3-thiazolidine.

Molecular Properties

Compound Name2-[(Z)-but-2-enyl]-1,3-thiazolidine
PubChem CID5352326
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name2-[(Z)-but-2-enyl]-1,3-thiazolidine
SMILESC/C=C\CC1NCCS1
InChIInChI=1S/C7H13NS/c1-2-3-4-7-8-5-6-9-7/h2-3,7-8H,4-6H2,1H3/b3-2-
InChIKeyNVCZSVLOACZRHY-IHWYPQMZSA-N
XLogP1.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.62
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

Thiazolidine, 2-(hex-2-en-5-ynyl)-2-methyl-, (E)-
CID 6366650
Thiazolidine, 2-(3-pentenyl)-, (E)-
CID 6447464
Thiazolidine, 2-(3-heptenyl)-2-methyl-, (E)-
CID 6447468
Thiazolidine, 2-(3,6-heptadienyl)-2-methyl-, (E)-
CID 6447469
Thiazolidine, 2-methyl-2-(3-pentenyl)-, (E)-
CID 6447466
Thiazolidine, 2-(3,5-hexadienyl)-2-methyl-, (E)-
CID 6447467
2-((Z)-2-heptenyl)thiazolidine
CID 5352327
2-((Z)-2-hexenyl)thiazolidine
CID 5352328
2-((Z)-2-octenyl)thiazolidine
CID 5352329
2-((Z)-2-pentenyl)thiazolidine
CID 5352330
2-Prop-2-enyl-1,3-thiazolidine
CID 13901678
2-[(E)-but-2-enyl]-1,3-thiazolidine-4-carbonitrile
CID 21316424

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-but-2-enyl]-1,3-thiazolidine?
The IUPAC name of 2-[(Z)-but-2-enyl]-1,3-thiazolidine (CID 5352326) is 2-[(Z)-but-2-enyl]-1,3-thiazolidine.
What is the SMILES notation for 2-[(Z)-but-2-enyl]-1,3-thiazolidine?
The canonical SMILES for 2-[(Z)-but-2-enyl]-1,3-thiazolidine is C/C=C\CC1NCCS1.
What is the InChIKey of 2-[(Z)-but-2-enyl]-1,3-thiazolidine?
The InChIKey is NVCZSVLOACZRHY-IHWYPQMZSA-N. The full InChI is InChI=1S/C7H13NS/c1-2-3-4-7-8-5-6-9-7/h2-3,7-8H,4-6H2,1H3/b3-2-.
What are the key properties of 2-[(Z)-but-2-enyl]-1,3-thiazolidine?
2-[(Z)-but-2-enyl]-1,3-thiazolidine has a molecular weight of 143.25 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-but-2-enyl]-1,3-thiazolidine is sourced from PubChem (CID 5352326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).