(4R)-5-hydroxy-2-methyl-4-(methylamino)-1-sulfanyl-1-(1,3-thiazol-2-yl)pentan-3-one

C10H16N2O2S2 — CID 57218591

IUPAC(4R)-5-hydroxy-2-methyl-4-(methylamino)-1-sulfanyl-1-(1,3-thiazol-2-yl)pentan-3-one
SMILESCN[C@H](CO)C(=O)C(C)C(S)c1nccs1
InChIInChI=1S/C10H16N2O2S2/c1-6(8(14)7(5-13)11-2)9(15)10-12-3-4-16-10/h3-4,6-7,9,11,13,15H,5H2,1-2H3/t6?,7-,9?/m1/s1
InChIKeyFCURTRJTLIITME-KDIYEYIXSA-N
MW260.38 g/mol
LogP0.90
Rot. Bonds6

About (4R)-5-hydroxy-2-methyl-4-(methylamino)-1-sulfanyl-1-(1,3-thiazol-2-yl)pentan-3-one

(4R)-5-hydroxy-2-methyl-4-(methylamino)-1-sulfanyl-1-(1,3-thiazol-2-yl)pentan-3-one (PubChem CID 57218591) has the molecular formula C10H16N2O2S2 and a molecular weight of 260.38 g/mol. Its IUPAC name is (4R)-5-hydroxy-2-methyl-4-(methylamino)-1-sulfanyl-1-(1,3-thiazol-2-yl)pentan-3-one.

Molecular Properties

Compound Name(4R)-5-hydroxy-2-methyl-4-(methylamino)-1-sulfanyl-1-(1,3-thiazol-2-yl)pentan-3-one
PubChem CID57218591
Molecular FormulaC10H16N2O2S2
Molecular Weight260.38 g/mol
Exact Mass260.07
IUPAC Name(4R)-5-hydroxy-2-methyl-4-(methylamino)-1-sulfanyl-1-(1,3-thiazol-2-yl)pentan-3-one
SMILESCN[C@H](CO)C(=O)C(C)C(S)c1nccs1
InChIInChI=1S/C10H16N2O2S2/c1-6(8(14)7(5-13)11-2)9(15)10-12-3-4-16-10/h3-4,6-7,9,11,13,15H,5H2,1-2H3/t6?,7-,9?/m1/s1
InChIKeyFCURTRJTLIITME-KDIYEYIXSA-N
XLogP0.90
TPSA62.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (4R)-5-hydroxy-2-methyl-4-(methylamino)-1-sulfanyl-1-(1,3-thiazol-2-yl)pentan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-5-hydroxy-2-methyl-4-(methylamino)-1-sulfanyl-1-(1,3-thiazol-2-yl)pentan-3-one?
The IUPAC name of (4R)-5-hydroxy-2-methyl-4-(methylamino)-1-sulfanyl-1-(1,3-thiazol-2-yl)pentan-3-one (CID 57218591) is (4R)-5-hydroxy-2-methyl-4-(methylamino)-1-sulfanyl-1-(1,3-thiazol-2-yl)pentan-3-one.
What is the SMILES notation for (4R)-5-hydroxy-2-methyl-4-(methylamino)-1-sulfanyl-1-(1,3-thiazol-2-yl)pentan-3-one?
The canonical SMILES for (4R)-5-hydroxy-2-methyl-4-(methylamino)-1-sulfanyl-1-(1,3-thiazol-2-yl)pentan-3-one is CN[C@H](CO)C(=O)C(C)C(S)c1nccs1.
What is the InChIKey of (4R)-5-hydroxy-2-methyl-4-(methylamino)-1-sulfanyl-1-(1,3-thiazol-2-yl)pentan-3-one?
The InChIKey is FCURTRJTLIITME-KDIYEYIXSA-N. The full InChI is InChI=1S/C10H16N2O2S2/c1-6(8(14)7(5-13)11-2)9(15)10-12-3-4-16-10/h3-4,6-7,9,11,13,15H,5H2,1-2H3/t6?,7-,9?/m1/s1.
What are the key properties of (4R)-5-hydroxy-2-methyl-4-(methylamino)-1-sulfanyl-1-(1,3-thiazol-2-yl)pentan-3-one?
(4R)-5-hydroxy-2-methyl-4-(methylamino)-1-sulfanyl-1-(1,3-thiazol-2-yl)pentan-3-one has a molecular weight of 260.38 g/mol, XLogP of 0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-hydroxy-2-methyl-4-(methylamino)-1-sulfanyl-1-(1,3-thiazol-2-yl)pentan-3-one is sourced from PubChem (CID 57218591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).