1-(3-ethyl-4-hydroxy-5-methyl-1,3-thiazolidin-2-yl)-2-sulfanylpropane-1-thione

C9H17NOS3 — CID 90737425

IUPAC1-(3-ethyl-4-hydroxy-5-methyl-1,3-thiazolidin-2-yl)-2-sulfanylpropane-1-thione
SMILESCCN1C(C(=S)C(C)S)SC(C)C1O
InChIInChI=1S/C9H17NOS3/c1-4-10-8(11)6(3)14-9(10)7(13)5(2)12/h5-6,8-9,11-12H,4H2,1-3H3
InChIKeyLNVGTCJORMWWAI-UHFFFAOYSA-N
MW251.44 g/mol
LogP1.78
Rot. Bonds3

About 1-(3-ethyl-4-hydroxy-5-methyl-1,3-thiazolidin-2-yl)-2-sulfanylpropane-1-thione

1-(3-ethyl-4-hydroxy-5-methyl-1,3-thiazolidin-2-yl)-2-sulfanylpropane-1-thione (PubChem CID 90737425) has the molecular formula C9H17NOS3 and a molecular weight of 251.44 g/mol. Its IUPAC name is 1-(3-ethyl-4-hydroxy-5-methyl-1,3-thiazolidin-2-yl)-2-sulfanylpropane-1-thione.

Molecular Properties

Compound Name1-(3-ethyl-4-hydroxy-5-methyl-1,3-thiazolidin-2-yl)-2-sulfanylpropane-1-thione
PubChem CID90737425
Molecular FormulaC9H17NOS3
Molecular Weight251.44 g/mol
Exact Mass251.05
IUPAC Name1-(3-ethyl-4-hydroxy-5-methyl-1,3-thiazolidin-2-yl)-2-sulfanylpropane-1-thione
SMILESCCN1C(C(=S)C(C)S)SC(C)C1O
InChIInChI=1S/C9H17NOS3/c1-4-10-8(11)6(3)14-9(10)7(13)5(2)12/h5-6,8-9,11-12H,4H2,1-3H3
InChIKeyLNVGTCJORMWWAI-UHFFFAOYSA-N
XLogP1.78
TPSA23.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-(3-ethyl-4-hydroxy-5-methyl-1,3-thiazolidin-2-yl)-2-sulfanylpropane-1-thione 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

2-(2-Pyrrolidin-1-ylethylsulfanyl)ethanol
CID 43393655
3-hydroxypropyl N,N-dibutylcarbamodithioate
CID 58858695
3-(1-Hydroxypropyl)-1,3-thiazolidine-2-thione
CID 88738214
3-[2-(3-Sulfanylpyrrolidin-1-yl)ethylsulfanyl]propan-1-ol
CID 89196642
3-Hydroxypropyl pyrrolidine-1-carbodithioate
CID 49874853
2-(3-Pyrrolidin-1-ylpropylsulfanyl)ethanol
CID 61494391
2-Methyl-3-(3-pyrrolidin-1-ylpropylsulfanyl)propan-1-ol
CID 66104733
2-Methyl-3-(2-pyrrolidin-1-ylethylsulfanyl)propan-1-ol
CID 66106046
3-(2-Pyrrolidin-1-ylethylsulfanyl)propan-1-ol
CID 66126783
3-(3-Pyrrolidin-1-ylpropylsulfanyl)propan-1-ol
CID 66127873
3-(2-Pyrrolidin-1-ylethylsulfanyl)butan-1-ol
CID 66137278
3-(3-Pyrrolidin-1-ylpropylsulfanyl)butan-1-ol
CID 66138166

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-4-hydroxy-5-methyl-1,3-thiazolidin-2-yl)-2-sulfanylpropane-1-thione?
The IUPAC name of 1-(3-ethyl-4-hydroxy-5-methyl-1,3-thiazolidin-2-yl)-2-sulfanylpropane-1-thione (CID 90737425) is 1-(3-ethyl-4-hydroxy-5-methyl-1,3-thiazolidin-2-yl)-2-sulfanylpropane-1-thione.
What is the SMILES notation for 1-(3-ethyl-4-hydroxy-5-methyl-1,3-thiazolidin-2-yl)-2-sulfanylpropane-1-thione?
The canonical SMILES for 1-(3-ethyl-4-hydroxy-5-methyl-1,3-thiazolidin-2-yl)-2-sulfanylpropane-1-thione is CCN1C(C(=S)C(C)S)SC(C)C1O.
What is the InChIKey of 1-(3-ethyl-4-hydroxy-5-methyl-1,3-thiazolidin-2-yl)-2-sulfanylpropane-1-thione?
The InChIKey is LNVGTCJORMWWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS3/c1-4-10-8(11)6(3)14-9(10)7(13)5(2)12/h5-6,8-9,11-12H,4H2,1-3H3.
What are the key properties of 1-(3-ethyl-4-hydroxy-5-methyl-1,3-thiazolidin-2-yl)-2-sulfanylpropane-1-thione?
1-(3-ethyl-4-hydroxy-5-methyl-1,3-thiazolidin-2-yl)-2-sulfanylpropane-1-thione has a molecular weight of 251.44 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-4-hydroxy-5-methyl-1,3-thiazolidin-2-yl)-2-sulfanylpropane-1-thione is sourced from PubChem (CID 90737425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).