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

C8H14N2OS — CID 65279949

IUPAC1-(3-propyl-1,2,4-thiadiazol-5-yl)propan-2-ol
SMILESCCCc1nsc(CC(C)O)n1
InChIInChI=1S/C8H14N2OS/c1-3-4-7-9-8(12-10-7)5-6(2)11/h6,11H,3-5H2,1-2H3
InChIKeyZMVIMZYPSFYGTJ-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.41
Rot. Bonds4

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

1-(3-propyl-1,2,4-thiadiazol-5-yl)propan-2-ol (PubChem CID 65279949) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 1-(3-propyl-1,2,4-thiadiazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3-propyl-1,2,4-thiadiazol-5-yl)propan-2-ol
PubChem CID65279949
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name1-(3-propyl-1,2,4-thiadiazol-5-yl)propan-2-ol
SMILESCCCc1nsc(CC(C)O)n1
InChIInChI=1S/C8H14N2OS/c1-3-4-7-9-8(12-10-7)5-6(2)11/h6,11H,3-5H2,1-2H3
InChIKeyZMVIMZYPSFYGTJ-UHFFFAOYSA-N
XLogP1.41
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-propyl-1,2,4-thiadiazol-5-yl)propan-2-ol?
The IUPAC name of 1-(3-propyl-1,2,4-thiadiazol-5-yl)propan-2-ol (CID 65279949) is 1-(3-propyl-1,2,4-thiadiazol-5-yl)propan-2-ol.
What is the SMILES notation for 1-(3-propyl-1,2,4-thiadiazol-5-yl)propan-2-ol?
The canonical SMILES for 1-(3-propyl-1,2,4-thiadiazol-5-yl)propan-2-ol is CCCc1nsc(CC(C)O)n1.
What is the InChIKey of 1-(3-propyl-1,2,4-thiadiazol-5-yl)propan-2-ol?
The InChIKey is ZMVIMZYPSFYGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-3-4-7-9-8(12-10-7)5-6(2)11/h6,11H,3-5H2,1-2H3.
What are the key properties of 1-(3-propyl-1,2,4-thiadiazol-5-yl)propan-2-ol?
1-(3-propyl-1,2,4-thiadiazol-5-yl)propan-2-ol has a molecular weight of 186.28 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propyl-1,2,4-thiadiazol-5-yl)propan-2-ol is sourced from PubChem (CID 65279949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).