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

C7H12N2OS — CID 65279888

IUPAC1-(3-ethyl-1,2,4-thiadiazol-5-yl)propan-2-ol
SMILESCCc1nsc(CC(C)O)n1
InChIInChI=1S/C7H12N2OS/c1-3-6-8-7(11-9-6)4-5(2)10/h5,10H,3-4H2,1-2H3
InChIKeyCLIGJVDIHDLEDZ-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.02
Rot. Bonds3

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

1-(3-ethyl-1,2,4-thiadiazol-5-yl)propan-2-ol (PubChem CID 65279888) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 1-(3-ethyl-1,2,4-thiadiazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3-ethyl-1,2,4-thiadiazol-5-yl)propan-2-ol
PubChem CID65279888
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name1-(3-ethyl-1,2,4-thiadiazol-5-yl)propan-2-ol
SMILESCCc1nsc(CC(C)O)n1
InChIInChI=1S/C7H12N2OS/c1-3-6-8-7(11-9-6)4-5(2)10/h5,10H,3-4H2,1-2H3
InChIKeyCLIGJVDIHDLEDZ-UHFFFAOYSA-N
XLogP1.02
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)propan-2-ol?
The IUPAC name of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)propan-2-ol (CID 65279888) is 1-(3-ethyl-1,2,4-thiadiazol-5-yl)propan-2-ol.
What is the SMILES notation for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)propan-2-ol?
The canonical SMILES for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)propan-2-ol is CCc1nsc(CC(C)O)n1.
What is the InChIKey of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)propan-2-ol?
The InChIKey is CLIGJVDIHDLEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-3-6-8-7(11-9-6)4-5(2)10/h5,10H,3-4H2,1-2H3.
What are the key properties of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)propan-2-ol?
1-(3-ethyl-1,2,4-thiadiazol-5-yl)propan-2-ol has a molecular weight of 172.25 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)propan-2-ol is sourced from PubChem (CID 65279888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).