N-[(2-aminophenyl)methyl]-N-methyl-3-propyl-1,2,4-thiadiazol-5-amine

C13H18N4S — CID 65276186

IUPACN-[(2-aminophenyl)methyl]-N-methyl-3-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(N(C)Cc2ccccc2N)n1
InChIInChI=1S/C13H18N4S/c1-3-6-12-15-13(18-16-12)17(2)9-10-7-4-5-8-11(10)14/h4-5,7-8H,3,6,9,14H2,1-2H3
InChIKeyALAFHGXFEUPQEM-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.71
Rot. Bonds5

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

N-[(2-aminophenyl)methyl]-N-methyl-3-propyl-1,2,4-thiadiazol-5-amine (PubChem CID 65276186) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-N-methyl-3-propyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-N-methyl-3-propyl-1,2,4-thiadiazol-5-amine
PubChem CID65276186
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC NameN-[(2-aminophenyl)methyl]-N-methyl-3-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(N(C)Cc2ccccc2N)n1
InChIInChI=1S/C13H18N4S/c1-3-6-12-15-13(18-16-12)17(2)9-10-7-4-5-8-11(10)14/h4-5,7-8H,3,6,9,14H2,1-2H3
InChIKeyALAFHGXFEUPQEM-UHFFFAOYSA-N
XLogP2.71
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-N-methyl-3-propyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(2-aminophenyl)methyl]-N-methyl-3-propyl-1,2,4-thiadiazol-5-amine (CID 65276186) is N-[(2-aminophenyl)methyl]-N-methyl-3-propyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-N-methyl-3-propyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(2-aminophenyl)methyl]-N-methyl-3-propyl-1,2,4-thiadiazol-5-amine is CCCc1nsc(N(C)Cc2ccccc2N)n1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-N-methyl-3-propyl-1,2,4-thiadiazol-5-amine?
The InChIKey is ALAFHGXFEUPQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-3-6-12-15-13(18-16-12)17(2)9-10-7-4-5-8-11(10)14/h4-5,7-8H,3,6,9,14H2,1-2H3.
What are the key properties of N-[(2-aminophenyl)methyl]-N-methyl-3-propyl-1,2,4-thiadiazol-5-amine?
N-[(2-aminophenyl)methyl]-N-methyl-3-propyl-1,2,4-thiadiazol-5-amine has a molecular weight of 262.38 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-N-methyl-3-propyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65276186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).