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

C9H16N2OS2 — CID 133484868

IUPAC2-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]sulfanyl]propan-1-ol
SMILESCC(C)Cc1nsc(SC(C)CO)n1
InChIInChI=1S/C9H16N2OS2/c1-6(2)4-8-10-9(14-11-8)13-7(3)5-12/h6-7,12H,4-5H2,1-3H3
InChIKeyVDDJNRROHOJGTA-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.21
Rot. Bonds5

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

2-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]sulfanyl]propan-1-ol (PubChem CID 133484868) has the molecular formula C9H16N2OS2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]sulfanyl]propan-1-ol.

Molecular Properties

Compound Name2-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]sulfanyl]propan-1-ol
PubChem CID133484868
Molecular FormulaC9H16N2OS2
Molecular Weight232.37 g/mol
Exact Mass232.07
IUPAC Name2-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]sulfanyl]propan-1-ol
SMILESCC(C)Cc1nsc(SC(C)CO)n1
InChIInChI=1S/C9H16N2OS2/c1-6(2)4-8-10-9(14-11-8)13-7(3)5-12/h6-7,12H,4-5H2,1-3H3
InChIKeyVDDJNRROHOJGTA-UHFFFAOYSA-N
XLogP2.21
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]sulfanyl]propan-1-ol?
The IUPAC name of 2-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]sulfanyl]propan-1-ol (CID 133484868) is 2-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]sulfanyl]propan-1-ol.
What is the SMILES notation for 2-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]sulfanyl]propan-1-ol?
The canonical SMILES for 2-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]sulfanyl]propan-1-ol is CC(C)Cc1nsc(SC(C)CO)n1.
What is the InChIKey of 2-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]sulfanyl]propan-1-ol?
The InChIKey is VDDJNRROHOJGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS2/c1-6(2)4-8-10-9(14-11-8)13-7(3)5-12/h6-7,12H,4-5H2,1-3H3.
What are the key properties of 2-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]sulfanyl]propan-1-ol?
2-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]sulfanyl]propan-1-ol has a molecular weight of 232.37 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]sulfanyl]propan-1-ol is sourced from PubChem (CID 133484868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).