(4R)-2-ethyl-4-methyl-4H-1,3-thiazol-5-one

C6H9NOS — CID 5325431

IUPAC(4R)-2-ethyl-4-methyl-4H-1,3-thiazol-5-one
SMILESCCC1=N[C@H](C)C(=O)S1
InChIInChI=1S/C6H9NOS/c1-3-5-7-4(2)6(8)9-5/h4H,3H2,1-2H3/t4-/m1/s1
InChIKeyJDJRIJRPZPAFLL-SCSAIBSYSA-N
MW143.21 g/mol
LogP1.46
Rot. Bonds1

About (4R)-2-ethyl-4-methyl-4H-1,3-thiazol-5-one

(4R)-2-ethyl-4-methyl-4H-1,3-thiazol-5-one (PubChem CID 5325431) has the molecular formula C6H9NOS and a molecular weight of 143.21 g/mol. Its IUPAC name is (4R)-2-ethyl-4-methyl-4H-1,3-thiazol-5-one.

Molecular Properties

Compound Name(4R)-2-ethyl-4-methyl-4H-1,3-thiazol-5-one
PubChem CID5325431
Molecular FormulaC6H9NOS
Molecular Weight143.21 g/mol
Exact Mass143.04
IUPAC Name(4R)-2-ethyl-4-methyl-4H-1,3-thiazol-5-one
SMILESCCC1=N[C@H](C)C(=O)S1
InChIInChI=1S/C6H9NOS/c1-3-5-7-4(2)6(8)9-5/h4H,3H2,1-2H3/t4-/m1/s1
InChIKeyJDJRIJRPZPAFLL-SCSAIBSYSA-N
XLogP1.46
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-ethyl-4-methyl-4H-1,3-thiazol-5-one?
The IUPAC name of (4R)-2-ethyl-4-methyl-4H-1,3-thiazol-5-one (CID 5325431) is (4R)-2-ethyl-4-methyl-4H-1,3-thiazol-5-one.
What is the SMILES notation for (4R)-2-ethyl-4-methyl-4H-1,3-thiazol-5-one?
The canonical SMILES for (4R)-2-ethyl-4-methyl-4H-1,3-thiazol-5-one is CCC1=N[C@H](C)C(=O)S1.
What is the InChIKey of (4R)-2-ethyl-4-methyl-4H-1,3-thiazol-5-one?
The InChIKey is JDJRIJRPZPAFLL-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H9NOS/c1-3-5-7-4(2)6(8)9-5/h4H,3H2,1-2H3/t4-/m1/s1.
What are the key properties of (4R)-2-ethyl-4-methyl-4H-1,3-thiazol-5-one?
(4R)-2-ethyl-4-methyl-4H-1,3-thiazol-5-one has a molecular weight of 143.21 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-ethyl-4-methyl-4H-1,3-thiazol-5-one is sourced from PubChem (CID 5325431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).