3-(2-methoxyethyl)-5-[3-(triazol-2-yl)azetidin-1-yl]-1,2,4-thiadiazole

C10H14N6OS — CID 154575557

IUPAC3-(2-methoxyethyl)-5-[3-(triazol-2-yl)azetidin-1-yl]-1,2,4-thiadiazole
SMILESCOCCc1nsc(N2CC(n3nccn3)C2)n1
InChIInChI=1S/C10H14N6OS/c1-17-5-2-9-13-10(18-14-9)15-6-8(7-15)16-11-3-4-12-16/h3-4,8H,2,5-7H2,1H3
InChIKeyRHVQRZJXLLLPSR-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.38
Rot. Bonds5

About 3-(2-methoxyethyl)-5-[3-(triazol-2-yl)azetidin-1-yl]-1,2,4-thiadiazole

3-(2-methoxyethyl)-5-[3-(triazol-2-yl)azetidin-1-yl]-1,2,4-thiadiazole (PubChem CID 154575557) has the molecular formula C10H14N6OS and a molecular weight of 266.33 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-5-[3-(triazol-2-yl)azetidin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(2-methoxyethyl)-5-[3-(triazol-2-yl)azetidin-1-yl]-1,2,4-thiadiazole
PubChem CID154575557
Molecular FormulaC10H14N6OS
Molecular Weight266.33 g/mol
Exact Mass266.09
IUPAC Name3-(2-methoxyethyl)-5-[3-(triazol-2-yl)azetidin-1-yl]-1,2,4-thiadiazole
SMILESCOCCc1nsc(N2CC(n3nccn3)C2)n1
InChIInChI=1S/C10H14N6OS/c1-17-5-2-9-13-10(18-14-9)15-6-8(7-15)16-11-3-4-12-16/h3-4,8H,2,5-7H2,1H3
InChIKeyRHVQRZJXLLLPSR-UHFFFAOYSA-N
XLogP0.38
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-5-[3-(triazol-2-yl)azetidin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-(2-methoxyethyl)-5-[3-(triazol-2-yl)azetidin-1-yl]-1,2,4-thiadiazole (CID 154575557) is 3-(2-methoxyethyl)-5-[3-(triazol-2-yl)azetidin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-(2-methoxyethyl)-5-[3-(triazol-2-yl)azetidin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-(2-methoxyethyl)-5-[3-(triazol-2-yl)azetidin-1-yl]-1,2,4-thiadiazole is COCCc1nsc(N2CC(n3nccn3)C2)n1.
What is the InChIKey of 3-(2-methoxyethyl)-5-[3-(triazol-2-yl)azetidin-1-yl]-1,2,4-thiadiazole?
The InChIKey is RHVQRZJXLLLPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6OS/c1-17-5-2-9-13-10(18-14-9)15-6-8(7-15)16-11-3-4-12-16/h3-4,8H,2,5-7H2,1H3.
What are the key properties of 3-(2-methoxyethyl)-5-[3-(triazol-2-yl)azetidin-1-yl]-1,2,4-thiadiazole?
3-(2-methoxyethyl)-5-[3-(triazol-2-yl)azetidin-1-yl]-1,2,4-thiadiazole has a molecular weight of 266.33 g/mol, XLogP of 0.38, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-5-[3-(triazol-2-yl)azetidin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 154575557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).