(2R)-1-(2-hydroxyethoxy)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol

C8H14N2O3S2 — CID 2006805

IUPAC(2R)-1-(2-hydroxyethoxy)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
SMILESCc1nnc(SC[C@H](O)COCCO)s1
InChIInChI=1S/C8H14N2O3S2/c1-6-9-10-8(15-6)14-5-7(12)4-13-3-2-11/h7,11-12H,2-5H2,1H3/t7-/m1/s1
InChIKeyOXBBWNQVAFZHIU-SSDOTTSWSA-N
MW250.34 g/mol
LogP0.31
Rot. Bonds7

About (2R)-1-(2-hydroxyethoxy)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol

(2R)-1-(2-hydroxyethoxy)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol (PubChem CID 2006805) has the molecular formula C8H14N2O3S2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (2R)-1-(2-hydroxyethoxy)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2-hydroxyethoxy)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
PubChem CID2006805
Molecular FormulaC8H14N2O3S2
Molecular Weight250.34 g/mol
Exact Mass250.04
IUPAC Name(2R)-1-(2-hydroxyethoxy)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
SMILESCc1nnc(SC[C@H](O)COCCO)s1
InChIInChI=1S/C8H14N2O3S2/c1-6-9-10-8(15-6)14-5-7(12)4-13-3-2-11/h7,11-12H,2-5H2,1H3/t7-/m1/s1
InChIKeyOXBBWNQVAFZHIU-SSDOTTSWSA-N
XLogP0.31
TPSA75.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2R)-1-(2-hydroxyethoxy)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol 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 (2R)-1-(2-hydroxyethoxy)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol?
The IUPAC name of (2R)-1-(2-hydroxyethoxy)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol (CID 2006805) is (2R)-1-(2-hydroxyethoxy)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol.
What is the SMILES notation for (2R)-1-(2-hydroxyethoxy)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol?
The canonical SMILES for (2R)-1-(2-hydroxyethoxy)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol is Cc1nnc(SC[C@H](O)COCCO)s1.
What is the InChIKey of (2R)-1-(2-hydroxyethoxy)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol?
The InChIKey is OXBBWNQVAFZHIU-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H14N2O3S2/c1-6-9-10-8(15-6)14-5-7(12)4-13-3-2-11/h7,11-12H,2-5H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-1-(2-hydroxyethoxy)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol?
(2R)-1-(2-hydroxyethoxy)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol has a molecular weight of 250.34 g/mol, XLogP of 0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-hydroxyethoxy)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol is sourced from PubChem (CID 2006805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).