(1S)-1-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]ethanol

C9H15N3OS — CID 164636397

IUPAC(1S)-1-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]ethanol
SMILESCCc1nsc(N2CC([C@H](C)O)C2)n1
InChIInChI=1S/C9H15N3OS/c1-3-8-10-9(14-11-8)12-4-7(5-12)6(2)13/h6-7,13H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyUOKSZXOUMZRANS-LURJTMIESA-N
MW213.31 g/mol
LogP0.92
Rot. Bonds3

About (1S)-1-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]ethanol

(1S)-1-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]ethanol (PubChem CID 164636397) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is (1S)-1-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]ethanol
PubChem CID164636397
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name(1S)-1-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]ethanol
SMILESCCc1nsc(N2CC([C@H](C)O)C2)n1
InChIInChI=1S/C9H15N3OS/c1-3-8-10-9(14-11-8)12-4-7(5-12)6(2)13/h6-7,13H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyUOKSZXOUMZRANS-LURJTMIESA-N
XLogP0.92
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]ethanol?
The IUPAC name of (1S)-1-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]ethanol (CID 164636397) is (1S)-1-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]ethanol.
What is the SMILES notation for (1S)-1-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]ethanol?
The canonical SMILES for (1S)-1-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]ethanol is CCc1nsc(N2CC([C@H](C)O)C2)n1.
What is the InChIKey of (1S)-1-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]ethanol?
The InChIKey is UOKSZXOUMZRANS-LURJTMIESA-N. The full InChI is InChI=1S/C9H15N3OS/c1-3-8-10-9(14-11-8)12-4-7(5-12)6(2)13/h6-7,13H,3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of (1S)-1-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]ethanol?
(1S)-1-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]ethanol has a molecular weight of 213.31 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]ethanol is sourced from PubChem (CID 164636397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).