(4R)-3,5-dimethyl-4-prop-2-enyl-1,3-thiazolidine

C8H15NS — CID 166901417

IUPAC(4R)-3,5-dimethyl-4-prop-2-enyl-1,3-thiazolidine
SMILESC=CC[C@@H]1C(C)SCN1C
InChIInChI=1S/C8H15NS/c1-4-5-8-7(2)10-6-9(8)3/h4,7-8H,1,5-6H2,2-3H3/t7?,8-/m1/s1
InChIKeySDZBZQAMXHFFAS-BRFYHDHCSA-N
MW157.28 g/mol
LogP1.96
Rot. Bonds2

About (4R)-3,5-dimethyl-4-prop-2-enyl-1,3-thiazolidine

(4R)-3,5-dimethyl-4-prop-2-enyl-1,3-thiazolidine (PubChem CID 166901417) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is (4R)-3,5-dimethyl-4-prop-2-enyl-1,3-thiazolidine.

Molecular Properties

Compound Name(4R)-3,5-dimethyl-4-prop-2-enyl-1,3-thiazolidine
PubChem CID166901417
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name(4R)-3,5-dimethyl-4-prop-2-enyl-1,3-thiazolidine
SMILESC=CC[C@@H]1C(C)SCN1C
InChIInChI=1S/C8H15NS/c1-4-5-8-7(2)10-6-9(8)3/h4,7-8H,1,5-6H2,2-3H3/t7?,8-/m1/s1
InChIKeySDZBZQAMXHFFAS-BRFYHDHCSA-N
XLogP1.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.96
H-Bond Donors ≤ 50
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)-3,5-dimethyl-4-prop-2-enyl-1,3-thiazolidine?
The IUPAC name of (4R)-3,5-dimethyl-4-prop-2-enyl-1,3-thiazolidine (CID 166901417) is (4R)-3,5-dimethyl-4-prop-2-enyl-1,3-thiazolidine.
What is the SMILES notation for (4R)-3,5-dimethyl-4-prop-2-enyl-1,3-thiazolidine?
The canonical SMILES for (4R)-3,5-dimethyl-4-prop-2-enyl-1,3-thiazolidine is C=CC[C@@H]1C(C)SCN1C.
What is the InChIKey of (4R)-3,5-dimethyl-4-prop-2-enyl-1,3-thiazolidine?
The InChIKey is SDZBZQAMXHFFAS-BRFYHDHCSA-N. The full InChI is InChI=1S/C8H15NS/c1-4-5-8-7(2)10-6-9(8)3/h4,7-8H,1,5-6H2,2-3H3/t7?,8-/m1/s1.
What are the key properties of (4R)-3,5-dimethyl-4-prop-2-enyl-1,3-thiazolidine?
(4R)-3,5-dimethyl-4-prop-2-enyl-1,3-thiazolidine has a molecular weight of 157.28 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3,5-dimethyl-4-prop-2-enyl-1,3-thiazolidine is sourced from PubChem (CID 166901417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).