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

C15H15N3OS — CID 65268066

IUPACN-(2-methoxyethyl)-3-naphthalen-1-yl-1,2,4-thiadiazol-5-amine
SMILESCOCCNc1nc(-c2cccc3ccccc23)ns1
InChIInChI=1S/C15H15N3OS/c1-19-10-9-16-15-17-14(18-20-15)13-8-4-6-11-5-2-3-7-12(11)13/h2-8H,9-10H2,1H3,(H,16,17,18)
InChIKeyBCIHWBWJXNKONN-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.42
Rot. Bonds5

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

N-(2-methoxyethyl)-3-naphthalen-1-yl-1,2,4-thiadiazol-5-amine (PubChem CID 65268066) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-naphthalen-1-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-naphthalen-1-yl-1,2,4-thiadiazol-5-amine
PubChem CID65268066
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC NameN-(2-methoxyethyl)-3-naphthalen-1-yl-1,2,4-thiadiazol-5-amine
SMILESCOCCNc1nc(-c2cccc3ccccc23)ns1
InChIInChI=1S/C15H15N3OS/c1-19-10-9-16-15-17-14(18-20-15)13-8-4-6-11-5-2-3-7-12(11)13/h2-8H,9-10H2,1H3,(H,16,17,18)
InChIKeyBCIHWBWJXNKONN-UHFFFAOYSA-N
XLogP3.42
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-naphthalen-1-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-methoxyethyl)-3-naphthalen-1-yl-1,2,4-thiadiazol-5-amine (CID 65268066) is N-(2-methoxyethyl)-3-naphthalen-1-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-naphthalen-1-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-naphthalen-1-yl-1,2,4-thiadiazol-5-amine is COCCNc1nc(-c2cccc3ccccc23)ns1.
What is the InChIKey of N-(2-methoxyethyl)-3-naphthalen-1-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is BCIHWBWJXNKONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-19-10-9-16-15-17-14(18-20-15)13-8-4-6-11-5-2-3-7-12(11)13/h2-8H,9-10H2,1H3,(H,16,17,18).
What are the key properties of N-(2-methoxyethyl)-3-naphthalen-1-yl-1,2,4-thiadiazol-5-amine?
N-(2-methoxyethyl)-3-naphthalen-1-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 285.37 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-naphthalen-1-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).