1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propan-2-ol

C8H14N2OS — CID 65279889

IUPAC1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propan-2-ol
SMILESCC(O)Cc1nc(C(C)C)ns1
InChIInChI=1S/C8H14N2OS/c1-5(2)8-9-7(12-10-8)4-6(3)11/h5-6,11H,4H2,1-3H3
InChIKeyNNKUHXGNDFESMD-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.58
Rot. Bonds3

About 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propan-2-ol

1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propan-2-ol (PubChem CID 65279889) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propan-2-ol
PubChem CID65279889
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propan-2-ol
SMILESCC(O)Cc1nc(C(C)C)ns1
InChIInChI=1S/C8H14N2OS/c1-5(2)8-9-7(12-10-8)4-6(3)11/h5-6,11H,4H2,1-3H3
InChIKeyNNKUHXGNDFESMD-UHFFFAOYSA-N
XLogP1.58
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propan-2-ol?
The IUPAC name of 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propan-2-ol (CID 65279889) is 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propan-2-ol.
What is the SMILES notation for 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propan-2-ol?
The canonical SMILES for 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propan-2-ol is CC(O)Cc1nc(C(C)C)ns1.
What is the InChIKey of 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propan-2-ol?
The InChIKey is NNKUHXGNDFESMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-5(2)8-9-7(12-10-8)4-6(3)11/h5-6,11H,4H2,1-3H3.
What are the key properties of 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propan-2-ol?
1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propan-2-ol has a molecular weight of 186.28 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propan-2-ol is sourced from PubChem (CID 65279889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).