3-isoquinolin-1-yl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine

C14H14N4OS — CID 65267883

IUPAC3-isoquinolin-1-yl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCNc1nc(-c2nccc3ccccc23)ns1
InChIInChI=1S/C14H14N4OS/c1-19-9-8-16-14-17-13(18-20-14)12-11-5-3-2-4-10(11)6-7-15-12/h2-7H,8-9H2,1H3,(H,16,17,18)
InChIKeyWBPDBBLSAZATDX-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.81
Rot. Bonds5

About 3-isoquinolin-1-yl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine

3-isoquinolin-1-yl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65267883) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is 3-isoquinolin-1-yl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-isoquinolin-1-yl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65267883
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name3-isoquinolin-1-yl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCNc1nc(-c2nccc3ccccc23)ns1
InChIInChI=1S/C14H14N4OS/c1-19-9-8-16-14-17-13(18-20-14)12-11-5-3-2-4-10(11)6-7-15-12/h2-7H,8-9H2,1H3,(H,16,17,18)
InChIKeyWBPDBBLSAZATDX-UHFFFAOYSA-N
XLogP2.81
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-isoquinolin-1-yl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-isoquinolin-1-yl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-isoquinolin-1-yl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine (CID 65267883) is 3-isoquinolin-1-yl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-isoquinolin-1-yl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-isoquinolin-1-yl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine is COCCNc1nc(-c2nccc3ccccc23)ns1.
What is the InChIKey of 3-isoquinolin-1-yl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is WBPDBBLSAZATDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-19-9-8-16-14-17-13(18-20-14)12-11-5-3-2-4-10(11)6-7-15-12/h2-7H,8-9H2,1H3,(H,16,17,18).
What are the key properties of 3-isoquinolin-1-yl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
3-isoquinolin-1-yl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 286.36 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isoquinolin-1-yl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65267883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).