(4R,5S)-3,4,5-trimethyl-1,3-thiazolidine

C6H13NS — CID 59071954

IUPAC(4R,5S)-3,4,5-trimethyl-1,3-thiazolidine
SMILESC[C@@H]1SCN(C)[C@@H]1C
InChIInChI=1S/C6H13NS/c1-5-6(2)8-4-7(5)3/h5-6H,4H2,1-3H3/t5-,6+/m1/s1
InChIKeyRWSRMQQZGWAHMO-RITPCOANSA-N
MW131.24 g/mol
LogP1.40
Rot. Bonds

About (4R,5S)-3,4,5-trimethyl-1,3-thiazolidine

(4R,5S)-3,4,5-trimethyl-1,3-thiazolidine (PubChem CID 59071954) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is (4R,5S)-3,4,5-trimethyl-1,3-thiazolidine.

Molecular Properties

Compound Name(4R,5S)-3,4,5-trimethyl-1,3-thiazolidine
PubChem CID59071954
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name(4R,5S)-3,4,5-trimethyl-1,3-thiazolidine
SMILESC[C@@H]1SCN(C)[C@@H]1C
InChIInChI=1S/C6H13NS/c1-5-6(2)8-4-7(5)3/h5-6H,4H2,1-3H3/t5-,6+/m1/s1
InChIKeyRWSRMQQZGWAHMO-RITPCOANSA-N
XLogP1.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-3,4,5-trimethyl-1,3-thiazolidine?
The IUPAC name of (4R,5S)-3,4,5-trimethyl-1,3-thiazolidine (CID 59071954) is (4R,5S)-3,4,5-trimethyl-1,3-thiazolidine.
What is the SMILES notation for (4R,5S)-3,4,5-trimethyl-1,3-thiazolidine?
The canonical SMILES for (4R,5S)-3,4,5-trimethyl-1,3-thiazolidine is C[C@@H]1SCN(C)[C@@H]1C.
What is the InChIKey of (4R,5S)-3,4,5-trimethyl-1,3-thiazolidine?
The InChIKey is RWSRMQQZGWAHMO-RITPCOANSA-N. The full InChI is InChI=1S/C6H13NS/c1-5-6(2)8-4-7(5)3/h5-6H,4H2,1-3H3/t5-,6+/m1/s1.
What are the key properties of (4R,5S)-3,4,5-trimethyl-1,3-thiazolidine?
(4R,5S)-3,4,5-trimethyl-1,3-thiazolidine has a molecular weight of 131.24 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-3,4,5-trimethyl-1,3-thiazolidine is sourced from PubChem (CID 59071954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).