1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-ethylazetidin-3-ol

C8H12ClN3OS — CID 80607294

IUPAC1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-ethylazetidin-3-ol
SMILESCCC1(O)CN(Cc2nnc(Cl)s2)C1
InChIInChI=1S/C8H12ClN3OS/c1-2-8(13)4-12(5-8)3-6-10-11-7(9)14-6/h13H,2-5H2,1H3
InChIKeyQLMRCUSWEXZIQF-UHFFFAOYSA-N
MW233.72 g/mol
LogP1.15
Rot. Bonds3

About 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-ethylazetidin-3-ol

1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-ethylazetidin-3-ol (PubChem CID 80607294) has the molecular formula C8H12ClN3OS and a molecular weight of 233.72 g/mol. Its IUPAC name is 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-ethylazetidin-3-ol.

Molecular Properties

Compound Name1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-ethylazetidin-3-ol
PubChem CID80607294
Molecular FormulaC8H12ClN3OS
Molecular Weight233.72 g/mol
Exact Mass233.04
IUPAC Name1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-ethylazetidin-3-ol
SMILESCCC1(O)CN(Cc2nnc(Cl)s2)C1
InChIInChI=1S/C8H12ClN3OS/c1-2-8(13)4-12(5-8)3-6-10-11-7(9)14-6/h13H,2-5H2,1H3
InChIKeyQLMRCUSWEXZIQF-UHFFFAOYSA-N
XLogP1.15
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.72
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-ethylazetidin-3-ol?
The IUPAC name of 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-ethylazetidin-3-ol (CID 80607294) is 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-ethylazetidin-3-ol.
What is the SMILES notation for 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-ethylazetidin-3-ol?
The canonical SMILES for 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-ethylazetidin-3-ol is CCC1(O)CN(Cc2nnc(Cl)s2)C1.
What is the InChIKey of 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-ethylazetidin-3-ol?
The InChIKey is QLMRCUSWEXZIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3OS/c1-2-8(13)4-12(5-8)3-6-10-11-7(9)14-6/h13H,2-5H2,1H3.
What are the key properties of 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-ethylazetidin-3-ol?
1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-ethylazetidin-3-ol has a molecular weight of 233.72 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-ethylazetidin-3-ol is sourced from PubChem (CID 80607294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).