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

C8H14N2O3S2 — CID 3795516

IUPAC1-(2-hydroxyethoxy)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
SMILESCc1nnc(SCC(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
InChIKeyOXBBWNQVAFZHIU-UHFFFAOYSA-N
MW250.34 g/mol
LogP0.31
Rot. Bonds7

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

1-(2-hydroxyethoxy)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol (PubChem CID 3795516) has the molecular formula C8H14N2O3S2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(2-hydroxyethoxy)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol.

Molecular Properties

Compound Name1-(2-hydroxyethoxy)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
PubChem CID3795516
Molecular FormulaC8H14N2O3S2
Molecular Weight250.34 g/mol
Exact Mass250.04
IUPAC Name1-(2-hydroxyethoxy)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
SMILESCc1nnc(SCC(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
InChIKeyOXBBWNQVAFZHIU-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethoxy)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol?
The IUPAC name of 1-(2-hydroxyethoxy)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol (CID 3795516) is 1-(2-hydroxyethoxy)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol.
What is the SMILES notation for 1-(2-hydroxyethoxy)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol?
The canonical SMILES for 1-(2-hydroxyethoxy)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol is Cc1nnc(SCC(O)COCCO)s1.
What is the InChIKey of 1-(2-hydroxyethoxy)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol?
The InChIKey is OXBBWNQVAFZHIU-UHFFFAOYSA-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.
What are the key properties of 1-(2-hydroxyethoxy)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol?
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 1-(2-hydroxyethoxy)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol is sourced from PubChem (CID 3795516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).