(2E)-2-pentylidene-1,3-thiazolidine

C8H15NS — CID 141222021

IUPAC(2E)-2-pentylidene-1,3-thiazolidine
SMILESCCCC/C=C1\NCCS1
InChIInChI=1S/C8H15NS/c1-2-3-4-5-8-9-6-7-10-8/h5,9H,2-4,6-7H2,1H3/b8-5+
InChIKeyMGCUPNPQKJDVAZ-VMPITWQZSA-N
MW157.28 g/mol
LogP2.35
Rot. Bonds3

About (2E)-2-pentylidene-1,3-thiazolidine

(2E)-2-pentylidene-1,3-thiazolidine (PubChem CID 141222021) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is (2E)-2-pentylidene-1,3-thiazolidine.

Molecular Properties

Compound Name(2E)-2-pentylidene-1,3-thiazolidine
PubChem CID141222021
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name(2E)-2-pentylidene-1,3-thiazolidine
SMILESCCCC/C=C1\NCCS1
InChIInChI=1S/C8H15NS/c1-2-3-4-5-8-9-6-7-10-8/h5,9H,2-4,6-7H2,1H3/b8-5+
InChIKeyMGCUPNPQKJDVAZ-VMPITWQZSA-N
XLogP2.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-pentylidenethiomorpholin-3-one
CID 67763937
5,6-dimethyl-3,4-dihydro-2H-1,4-thiazine;heptane
CID 143716624
2-pentylidene-1,3-oxazolidine
CID 174633347
(2E)-2-heptylidenethiolane
CID 100984303
1,2-di(pentylidene)cyclohexane
CID 11356709
4-hexylidenepiperidine;hydrochloride
CID 18963728
pentylidenecyclopentadecane
CID 151655236
3-pentylidenepiperazine-2,5-dione
CID 53405957
(3E)-3-dodecylidenepyrrolidine
CID 134081400
3-octylidenepyrrolidine
CID 79879694
2,6-di(pentylidene)cyclohexan-1-one
CID 70979876
heptadecylidenecyclopropane
CID 19760704

Frequently Asked Questions

What is the IUPAC name of (2E)-2-pentylidene-1,3-thiazolidine?
The IUPAC name of (2E)-2-pentylidene-1,3-thiazolidine (CID 141222021) is (2E)-2-pentylidene-1,3-thiazolidine.
What is the SMILES notation for (2E)-2-pentylidene-1,3-thiazolidine?
The canonical SMILES for (2E)-2-pentylidene-1,3-thiazolidine is CCCC/C=C1\NCCS1.
What is the InChIKey of (2E)-2-pentylidene-1,3-thiazolidine?
The InChIKey is MGCUPNPQKJDVAZ-VMPITWQZSA-N. The full InChI is InChI=1S/C8H15NS/c1-2-3-4-5-8-9-6-7-10-8/h5,9H,2-4,6-7H2,1H3/b8-5+.
What are the key properties of (2E)-2-pentylidene-1,3-thiazolidine?
(2E)-2-pentylidene-1,3-thiazolidine has a molecular weight of 157.28 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-pentylidene-1,3-thiazolidine is sourced from PubChem (CID 141222021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).