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

C6H10N2O2S — CID 126976025

IUPAC2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-ol
SMILESCc1nnc(SC(C)CO)o1
InChIInChI=1S/C6H10N2O2S/c1-4(3-9)11-6-8-7-5(2)10-6/h4,9H,3H2,1-2H3
InChIKeyVPHJJJFHUMADSO-UHFFFAOYSA-N
MW174.22 g/mol
LogP0.85
Rot. Bonds3

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

2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-ol (PubChem CID 126976025) has the molecular formula C6H10N2O2S and a molecular weight of 174.22 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-ol.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-ol
PubChem CID126976025
Molecular FormulaC6H10N2O2S
Molecular Weight174.22 g/mol
Exact Mass174.05
IUPAC Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-ol
SMILESCc1nnc(SC(C)CO)o1
InChIInChI=1S/C6H10N2O2S/c1-4(3-9)11-6-8-7-5(2)10-6/h4,9H,3H2,1-2H3
InChIKeyVPHJJJFHUMADSO-UHFFFAOYSA-N
XLogP0.85
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-ol?
The IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-ol (CID 126976025) is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-ol.
What is the SMILES notation for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-ol?
The canonical SMILES for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-ol is Cc1nnc(SC(C)CO)o1.
What is the InChIKey of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-ol?
The InChIKey is VPHJJJFHUMADSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S/c1-4(3-9)11-6-8-7-5(2)10-6/h4,9H,3H2,1-2H3.
What are the key properties of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-ol?
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-ol has a molecular weight of 174.22 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-ol is sourced from PubChem (CID 126976025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).