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

C8H13N3OS — CID 65275177

IUPAC1-(3-propyl-1,2,4-thiadiazol-5-yl)azetidin-3-ol
SMILESCCCc1nsc(N2CC(O)C2)n1
InChIInChI=1S/C8H13N3OS/c1-2-3-7-9-8(13-10-7)11-4-6(12)5-11/h6,12H,2-5H2,1H3
InChIKeyKPIQFCPFTBVSIS-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.67
Rot. Bonds3

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

1-(3-propyl-1,2,4-thiadiazol-5-yl)azetidin-3-ol (PubChem CID 65275177) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 1-(3-propyl-1,2,4-thiadiazol-5-yl)azetidin-3-ol.

Molecular Properties

Compound Name1-(3-propyl-1,2,4-thiadiazol-5-yl)azetidin-3-ol
PubChem CID65275177
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name1-(3-propyl-1,2,4-thiadiazol-5-yl)azetidin-3-ol
SMILESCCCc1nsc(N2CC(O)C2)n1
InChIInChI=1S/C8H13N3OS/c1-2-3-7-9-8(13-10-7)11-4-6(12)5-11/h6,12H,2-5H2,1H3
InChIKeyKPIQFCPFTBVSIS-UHFFFAOYSA-N
XLogP0.67
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-propyl-1,2,4-thiadiazol-5-yl)azetidin-3-ol?
The IUPAC name of 1-(3-propyl-1,2,4-thiadiazol-5-yl)azetidin-3-ol (CID 65275177) is 1-(3-propyl-1,2,4-thiadiazol-5-yl)azetidin-3-ol.
What is the SMILES notation for 1-(3-propyl-1,2,4-thiadiazol-5-yl)azetidin-3-ol?
The canonical SMILES for 1-(3-propyl-1,2,4-thiadiazol-5-yl)azetidin-3-ol is CCCc1nsc(N2CC(O)C2)n1.
What is the InChIKey of 1-(3-propyl-1,2,4-thiadiazol-5-yl)azetidin-3-ol?
The InChIKey is KPIQFCPFTBVSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-2-3-7-9-8(13-10-7)11-4-6(12)5-11/h6,12H,2-5H2,1H3.
What are the key properties of 1-(3-propyl-1,2,4-thiadiazol-5-yl)azetidin-3-ol?
1-(3-propyl-1,2,4-thiadiazol-5-yl)azetidin-3-ol has a molecular weight of 199.28 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propyl-1,2,4-thiadiazol-5-yl)azetidin-3-ol is sourced from PubChem (CID 65275177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).