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

C11H14N4S — CID 65275975

IUPACN-[(3-aminophenyl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCc2cccc(N)c2)n1
InChIInChI=1S/C11H14N4S/c1-2-10-14-11(16-15-10)13-7-8-4-3-5-9(12)6-8/h3-6H,2,7,12H2,1H3,(H,13,14,15)
InChIKeyRFOYITZJEDWKSU-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.29
Rot. Bonds4

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

N-[(3-aminophenyl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine (PubChem CID 65275975) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine
PubChem CID65275975
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC NameN-[(3-aminophenyl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCc2cccc(N)c2)n1
InChIInChI=1S/C11H14N4S/c1-2-10-14-11(16-15-10)13-7-8-4-3-5-9(12)6-8/h3-6H,2,7,12H2,1H3,(H,13,14,15)
InChIKeyRFOYITZJEDWKSU-UHFFFAOYSA-N
XLogP2.29
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.29
H-Bond Donors ≤ 52
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-[(3-aminophenyl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(3-aminophenyl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine (CID 65275975) is N-[(3-aminophenyl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(3-aminophenyl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine is CCc1nsc(NCc2cccc(N)c2)n1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine?
The InChIKey is RFOYITZJEDWKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-2-10-14-11(16-15-10)13-7-8-4-3-5-9(12)6-8/h3-6H,2,7,12H2,1H3,(H,13,14,15).
What are the key properties of N-[(3-aminophenyl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine?
N-[(3-aminophenyl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine has a molecular weight of 234.33 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65275975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).