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

C9H16N2OS2 — CID 66105530

IUPAC2-methyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol
SMILESCC(CO)CSc1nc(C(C)C)ns1
InChIInChI=1S/C9H16N2OS2/c1-6(2)8-10-9(14-11-8)13-5-7(3)4-12/h6-7,12H,4-5H2,1-3H3
InChIKeyFREYBCAVKCVWJT-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.38
Rot. Bonds5

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

2-methyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol (PubChem CID 66105530) has the molecular formula C9H16N2OS2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-methyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol
PubChem CID66105530
Molecular FormulaC9H16N2OS2
Molecular Weight232.37 g/mol
Exact Mass232.07
IUPAC Name2-methyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol
SMILESCC(CO)CSc1nc(C(C)C)ns1
InChIInChI=1S/C9H16N2OS2/c1-6(2)8-10-9(14-11-8)13-5-7(3)4-12/h6-7,12H,4-5H2,1-3H3
InChIKeyFREYBCAVKCVWJT-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-Ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,1,1-trifluoropropan-2-ol
CID 80427253
2-Methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]propan-1-ol
CID 107305269
1-Fluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-2-ol
CID 165601412
2-Methyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]propanoic acid
CID 65272398
3-[(3-Ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-methylpropanoic acid
CID 65272452
3-[(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]propanoic acid
CID 65272561
2-[(3-Methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol
CID 65273381
2-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol
CID 65274075
2-[(3-Propyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol
CID 65274076
2-[(3-Ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol
CID 65274077
2-[(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol
CID 65274078
2-[(3-Tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol
CID 65274134

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol?
The IUPAC name of 2-methyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol (CID 66105530) is 2-methyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol.
What is the SMILES notation for 2-methyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol?
The canonical SMILES for 2-methyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol is CC(CO)CSc1nc(C(C)C)ns1.
What is the InChIKey of 2-methyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol?
The InChIKey is FREYBCAVKCVWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS2/c1-6(2)8-10-9(14-11-8)13-5-7(3)4-12/h6-7,12H,4-5H2,1-3H3.
What are the key properties of 2-methyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol?
2-methyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol has a molecular weight of 232.37 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol is sourced from PubChem (CID 66105530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).