1-[(4R)-4-propan-2-yl-2-sulfanyl-1,3-thiazolidin-3-yl]ethanol

C8H17NOS2 — CID 147649112

IUPAC1-[(4R)-4-propan-2-yl-2-sulfanyl-1,3-thiazolidin-3-yl]ethanol
SMILESCC(C)[C@@H]1CSC(S)N1C(C)O
InChIInChI=1S/C8H17NOS2/c1-5(2)7-4-12-8(11)9(7)6(3)10/h5-8,10-11H,4H2,1-3H3/t6?,7-,8?/m0/s1
InChIKeyGJDOGRBZAVUNNE-WTIBDHCWSA-N
MW207.36 g/mol
LogP1.61
Rot. Bonds2

About 1-[(4R)-4-propan-2-yl-2-sulfanyl-1,3-thiazolidin-3-yl]ethanol

1-[(4R)-4-propan-2-yl-2-sulfanyl-1,3-thiazolidin-3-yl]ethanol (PubChem CID 147649112) has the molecular formula C8H17NOS2 and a molecular weight of 207.36 g/mol. Its IUPAC name is 1-[(4R)-4-propan-2-yl-2-sulfanyl-1,3-thiazolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[(4R)-4-propan-2-yl-2-sulfanyl-1,3-thiazolidin-3-yl]ethanol
PubChem CID147649112
Molecular FormulaC8H17NOS2
Molecular Weight207.36 g/mol
Exact Mass207.08
IUPAC Name1-[(4R)-4-propan-2-yl-2-sulfanyl-1,3-thiazolidin-3-yl]ethanol
SMILESCC(C)[C@@H]1CSC(S)N1C(C)O
InChIInChI=1S/C8H17NOS2/c1-5(2)7-4-12-8(11)9(7)6(3)10/h5-8,10-11H,4H2,1-3H3/t6?,7-,8?/m0/s1
InChIKeyGJDOGRBZAVUNNE-WTIBDHCWSA-N
XLogP1.61
TPSA23.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(4R)-4-propan-2-yl-2-sulfanyl-1,3-thiazolidin-3-yl]ethanol with MolForge

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

Launch Full Analysis

Related Compounds

[(4R)-3-methyl-2-(2-methylpropyl)-1,3-thiazolidin-4-yl]methanol
CID 15052279
3-[(2S)-2-methylbutyl]-1,3-thiazolidin-4-ol
CID 143204673
(4S)-4-tert-butyl-3-[(1S)-1-hydroxypropyl]-1,3-thiazolidine-2-thione
CID 155782215
[(4R)-3,3-dimethyl-2-(2-methylpropyl)-1,3-thiazolidin-3-ium-4-yl]methanol
CID 15052281
[3-Methyl-2-(2-methylpropyl)-1,3-thiazolidin-4-yl]methanol
CID 72743970

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-propan-2-yl-2-sulfanyl-1,3-thiazolidin-3-yl]ethanol?
The IUPAC name of 1-[(4R)-4-propan-2-yl-2-sulfanyl-1,3-thiazolidin-3-yl]ethanol (CID 147649112) is 1-[(4R)-4-propan-2-yl-2-sulfanyl-1,3-thiazolidin-3-yl]ethanol.
What is the SMILES notation for 1-[(4R)-4-propan-2-yl-2-sulfanyl-1,3-thiazolidin-3-yl]ethanol?
The canonical SMILES for 1-[(4R)-4-propan-2-yl-2-sulfanyl-1,3-thiazolidin-3-yl]ethanol is CC(C)[C@@H]1CSC(S)N1C(C)O.
What is the InChIKey of 1-[(4R)-4-propan-2-yl-2-sulfanyl-1,3-thiazolidin-3-yl]ethanol?
The InChIKey is GJDOGRBZAVUNNE-WTIBDHCWSA-N. The full InChI is InChI=1S/C8H17NOS2/c1-5(2)7-4-12-8(11)9(7)6(3)10/h5-8,10-11H,4H2,1-3H3/t6?,7-,8?/m0/s1.
What are the key properties of 1-[(4R)-4-propan-2-yl-2-sulfanyl-1,3-thiazolidin-3-yl]ethanol?
1-[(4R)-4-propan-2-yl-2-sulfanyl-1,3-thiazolidin-3-yl]ethanol has a molecular weight of 207.36 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-propan-2-yl-2-sulfanyl-1,3-thiazolidin-3-yl]ethanol is sourced from PubChem (CID 147649112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).