(4R)-4-[(Z)-but-2-enyl]-2-methyl-5-methylidene-1,3-thiazolidine

C9H15NS — CID 118214002

IUPAC(4R)-4-[(Z)-but-2-enyl]-2-methyl-5-methylidene-1,3-thiazolidine
SMILESC=C1SC(C)N[C@@H]1C/C=C\C
InChIInChI=1S/C9H15NS/c1-4-5-6-9-7(2)11-8(3)10-9/h4-5,8-10H,2,6H2,1,3H3/b5-4-/t8?,9-/m1/s1
InChIKeyOXWIWIDGVHJHAL-OXSOWFQISA-N
MW169.29 g/mol
LogP2.52
Rot. Bonds2

About (4R)-4-[(Z)-but-2-enyl]-2-methyl-5-methylidene-1,3-thiazolidine

(4R)-4-[(Z)-but-2-enyl]-2-methyl-5-methylidene-1,3-thiazolidine (PubChem CID 118214002) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is (4R)-4-[(Z)-but-2-enyl]-2-methyl-5-methylidene-1,3-thiazolidine.

Molecular Properties

Compound Name(4R)-4-[(Z)-but-2-enyl]-2-methyl-5-methylidene-1,3-thiazolidine
PubChem CID118214002
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name(4R)-4-[(Z)-but-2-enyl]-2-methyl-5-methylidene-1,3-thiazolidine
SMILESC=C1SC(C)N[C@@H]1C/C=C\C
InChIInChI=1S/C9H15NS/c1-4-5-6-9-7(2)11-8(3)10-9/h4-5,8-10H,2,6H2,1,3H3/b5-4-/t8?,9-/m1/s1
InChIKeyOXWIWIDGVHJHAL-OXSOWFQISA-N
XLogP2.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.52
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 (4R)-4-[(Z)-but-2-enyl]-2-methyl-5-methylidene-1,3-thiazolidine?
The IUPAC name of (4R)-4-[(Z)-but-2-enyl]-2-methyl-5-methylidene-1,3-thiazolidine (CID 118214002) is (4R)-4-[(Z)-but-2-enyl]-2-methyl-5-methylidene-1,3-thiazolidine.
What is the SMILES notation for (4R)-4-[(Z)-but-2-enyl]-2-methyl-5-methylidene-1,3-thiazolidine?
The canonical SMILES for (4R)-4-[(Z)-but-2-enyl]-2-methyl-5-methylidene-1,3-thiazolidine is C=C1SC(C)N[C@@H]1C/C=C\C.
What is the InChIKey of (4R)-4-[(Z)-but-2-enyl]-2-methyl-5-methylidene-1,3-thiazolidine?
The InChIKey is OXWIWIDGVHJHAL-OXSOWFQISA-N. The full InChI is InChI=1S/C9H15NS/c1-4-5-6-9-7(2)11-8(3)10-9/h4-5,8-10H,2,6H2,1,3H3/b5-4-/t8?,9-/m1/s1.
What are the key properties of (4R)-4-[(Z)-but-2-enyl]-2-methyl-5-methylidene-1,3-thiazolidine?
(4R)-4-[(Z)-but-2-enyl]-2-methyl-5-methylidene-1,3-thiazolidine has a molecular weight of 169.29 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(Z)-but-2-enyl]-2-methyl-5-methylidene-1,3-thiazolidine is sourced from PubChem (CID 118214002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).