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

C10H19NS — CID 5352327

IUPAC2-[(Z)-hept-2-enyl]-1,3-thiazolidine
SMILESCCCC/C=C\CC1NCCS1
InChIInChI=1S/C10H19NS/c1-2-3-4-5-6-7-10-11-8-9-12-10/h5-6,10-11H,2-4,7-9H2,1H3/b6-5-
InChIKeyOUYJEVNIDRWBEJ-WAYWQWQTSA-N
MW185.34 g/mol
LogP2.79
Rot. Bonds5

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

2-[(Z)-hept-2-enyl]-1,3-thiazolidine (PubChem CID 5352327) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 2-[(Z)-hept-2-enyl]-1,3-thiazolidine.

Molecular Properties

Compound Name2-[(Z)-hept-2-enyl]-1,3-thiazolidine
PubChem CID5352327
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name2-[(Z)-hept-2-enyl]-1,3-thiazolidine
SMILESCCCC/C=C\CC1NCCS1
InChIInChI=1S/C10H19NS/c1-2-3-4-5-6-7-10-11-8-9-12-10/h5-6,10-11H,2-4,7-9H2,1H3/b6-5-
InChIKeyOUYJEVNIDRWBEJ-WAYWQWQTSA-N
XLogP2.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-2-(4-methylpent-3-en-1-yl)-1,3-thiazolidine
CID 3040236
2-Methyl-2-(pent-4-en-1-yl)-1,3-thiazolidine
CID 3058785
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
2-(But-3-en-1-yl)-2-methyl-1,3-thiazolidine
CID 3058778
2-(Hex-5-en-1-yl)-2-methyl-1,3-thiazolidine
CID 3058791
Thiazolidine, 2-methyl-2-(3-pentenyl)-, (E)-
CID 6447466
Thiazolidine, 2-(3,5-hexadienyl)-2-methyl-, (E)-
CID 6447467
Thiazolidine, 2-(hept-3-en-6-ynyl)-2-methyl-, (E)-
CID 6447470
2-((Z)-2-butenyl)thiazolidine
CID 5352326

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-hept-2-enyl]-1,3-thiazolidine?
The IUPAC name of 2-[(Z)-hept-2-enyl]-1,3-thiazolidine (CID 5352327) is 2-[(Z)-hept-2-enyl]-1,3-thiazolidine.
What is the SMILES notation for 2-[(Z)-hept-2-enyl]-1,3-thiazolidine?
The canonical SMILES for 2-[(Z)-hept-2-enyl]-1,3-thiazolidine is CCCC/C=C\CC1NCCS1.
What is the InChIKey of 2-[(Z)-hept-2-enyl]-1,3-thiazolidine?
The InChIKey is OUYJEVNIDRWBEJ-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H19NS/c1-2-3-4-5-6-7-10-11-8-9-12-10/h5-6,10-11H,2-4,7-9H2,1H3/b6-5-.
What are the key properties of 2-[(Z)-hept-2-enyl]-1,3-thiazolidine?
2-[(Z)-hept-2-enyl]-1,3-thiazolidine has a molecular weight of 185.34 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-hept-2-enyl]-1,3-thiazolidine is sourced from PubChem (CID 5352327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).