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

C14H18N4S — CID 65276128

IUPACN-[(2-aminophenyl)methyl]-N-cyclopropyl-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(N(Cc2ccccc2N)C2CC2)n1
InChIInChI=1S/C14H18N4S/c1-2-13-16-14(19-17-13)18(11-7-8-11)9-10-5-3-4-6-12(10)15/h3-6,11H,2,7-9,15H2,1H3
InChIKeyFVTCKEJIJQXQJZ-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.85
Rot. Bonds5

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

N-[(2-aminophenyl)methyl]-N-cyclopropyl-3-ethyl-1,2,4-thiadiazol-5-amine (PubChem CID 65276128) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-N-cyclopropyl-3-ethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-N-cyclopropyl-3-ethyl-1,2,4-thiadiazol-5-amine
PubChem CID65276128
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC NameN-[(2-aminophenyl)methyl]-N-cyclopropyl-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(N(Cc2ccccc2N)C2CC2)n1
InChIInChI=1S/C14H18N4S/c1-2-13-16-14(19-17-13)18(11-7-8-11)9-10-5-3-4-6-12(10)15/h3-6,11H,2,7-9,15H2,1H3
InChIKeyFVTCKEJIJQXQJZ-UHFFFAOYSA-N
XLogP2.85
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.85
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-cyclopropyl-3-ethyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(2-aminophenyl)methyl]-N-cyclopropyl-3-ethyl-1,2,4-thiadiazol-5-amine (CID 65276128) is N-[(2-aminophenyl)methyl]-N-cyclopropyl-3-ethyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-N-cyclopropyl-3-ethyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(2-aminophenyl)methyl]-N-cyclopropyl-3-ethyl-1,2,4-thiadiazol-5-amine is CCc1nsc(N(Cc2ccccc2N)C2CC2)n1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-N-cyclopropyl-3-ethyl-1,2,4-thiadiazol-5-amine?
The InChIKey is FVTCKEJIJQXQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-2-13-16-14(19-17-13)18(11-7-8-11)9-10-5-3-4-6-12(10)15/h3-6,11H,2,7-9,15H2,1H3.
What are the key properties of N-[(2-aminophenyl)methyl]-N-cyclopropyl-3-ethyl-1,2,4-thiadiazol-5-amine?
N-[(2-aminophenyl)methyl]-N-cyclopropyl-3-ethyl-1,2,4-thiadiazol-5-amine has a molecular weight of 274.39 g/mol, XLogP of 2.85, 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-cyclopropyl-3-ethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65276128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).