N-(2-methoxyethyl)-3-[(2-methylphenyl)methyl]-1,2,4-thiadiazol-5-amine

C13H17N3OS — CID 65268119

IUPACN-(2-methoxyethyl)-3-[(2-methylphenyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCOCCNc1nc(Cc2ccccc2C)ns1
InChIInChI=1S/C13H17N3OS/c1-10-5-3-4-6-11(10)9-12-15-13(18-16-12)14-7-8-17-2/h3-6H,7-9H2,1-2H3,(H,14,15,16)
InChIKeyQSAKYJGISKAVNJ-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.50
Rot. Bonds6

About N-(2-methoxyethyl)-3-[(2-methylphenyl)methyl]-1,2,4-thiadiazol-5-amine

N-(2-methoxyethyl)-3-[(2-methylphenyl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 65268119) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[(2-methylphenyl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[(2-methylphenyl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID65268119
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC NameN-(2-methoxyethyl)-3-[(2-methylphenyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCOCCNc1nc(Cc2ccccc2C)ns1
InChIInChI=1S/C13H17N3OS/c1-10-5-3-4-6-11(10)9-12-15-13(18-16-12)14-7-8-17-2/h3-6H,7-9H2,1-2H3,(H,14,15,16)
InChIKeyQSAKYJGISKAVNJ-UHFFFAOYSA-N
XLogP2.50
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.50
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-[(2-methylphenyl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-methoxyethyl)-3-[(2-methylphenyl)methyl]-1,2,4-thiadiazol-5-amine (CID 65268119) is N-(2-methoxyethyl)-3-[(2-methylphenyl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-[(2-methylphenyl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-[(2-methylphenyl)methyl]-1,2,4-thiadiazol-5-amine is COCCNc1nc(Cc2ccccc2C)ns1.
What is the InChIKey of N-(2-methoxyethyl)-3-[(2-methylphenyl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is QSAKYJGISKAVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-10-5-3-4-6-11(10)9-12-15-13(18-16-12)14-7-8-17-2/h3-6H,7-9H2,1-2H3,(H,14,15,16).
What are the key properties of N-(2-methoxyethyl)-3-[(2-methylphenyl)methyl]-1,2,4-thiadiazol-5-amine?
N-(2-methoxyethyl)-3-[(2-methylphenyl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 263.37 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[(2-methylphenyl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).