3-(2-methoxyethyl)-N-[2-(4-phenyltriazol-1-yl)ethyl]-1,2,4-thiadiazol-5-amine

C15H18N6OS — CID 136574002

IUPAC3-(2-methoxyethyl)-N-[2-(4-phenyltriazol-1-yl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCOCCc1nsc(NCCn2cc(-c3ccccc3)nn2)n1
InChIInChI=1S/C15H18N6OS/c1-22-10-7-14-17-15(23-19-14)16-8-9-21-11-13(18-20-21)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,16,17,19)
InChIKeyHFJGVQQUBONUNE-UHFFFAOYSA-N
MW330.42 g/mol
LogP2.10
Rot. Bonds8

About 3-(2-methoxyethyl)-N-[2-(4-phenyltriazol-1-yl)ethyl]-1,2,4-thiadiazol-5-amine

3-(2-methoxyethyl)-N-[2-(4-phenyltriazol-1-yl)ethyl]-1,2,4-thiadiazol-5-amine (PubChem CID 136574002) has the molecular formula C15H18N6OS and a molecular weight of 330.42 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-N-[2-(4-phenyltriazol-1-yl)ethyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(2-methoxyethyl)-N-[2-(4-phenyltriazol-1-yl)ethyl]-1,2,4-thiadiazol-5-amine
PubChem CID136574002
Molecular FormulaC15H18N6OS
Molecular Weight330.42 g/mol
Exact Mass330.13
IUPAC Name3-(2-methoxyethyl)-N-[2-(4-phenyltriazol-1-yl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCOCCc1nsc(NCCn2cc(-c3ccccc3)nn2)n1
InChIInChI=1S/C15H18N6OS/c1-22-10-7-14-17-15(23-19-14)16-8-9-21-11-13(18-20-21)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,16,17,19)
InChIKeyHFJGVQQUBONUNE-UHFFFAOYSA-N
XLogP2.10
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-N-[2-(4-phenyltriazol-1-yl)ethyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(2-methoxyethyl)-N-[2-(4-phenyltriazol-1-yl)ethyl]-1,2,4-thiadiazol-5-amine (CID 136574002) is 3-(2-methoxyethyl)-N-[2-(4-phenyltriazol-1-yl)ethyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(2-methoxyethyl)-N-[2-(4-phenyltriazol-1-yl)ethyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(2-methoxyethyl)-N-[2-(4-phenyltriazol-1-yl)ethyl]-1,2,4-thiadiazol-5-amine is COCCc1nsc(NCCn2cc(-c3ccccc3)nn2)n1.
What is the InChIKey of 3-(2-methoxyethyl)-N-[2-(4-phenyltriazol-1-yl)ethyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is HFJGVQQUBONUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6OS/c1-22-10-7-14-17-15(23-19-14)16-8-9-21-11-13(18-20-21)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,16,17,19).
What are the key properties of 3-(2-methoxyethyl)-N-[2-(4-phenyltriazol-1-yl)ethyl]-1,2,4-thiadiazol-5-amine?
3-(2-methoxyethyl)-N-[2-(4-phenyltriazol-1-yl)ethyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 330.42 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-N-[2-(4-phenyltriazol-1-yl)ethyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 136574002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).