N-[1-(2-aminophenyl)ethyl]-4-ethyl-1,3-thiazol-2-amine

C13H17N3S — CID 55152929

IUPACN-[1-(2-aminophenyl)ethyl]-4-ethyl-1,3-thiazol-2-amine
SMILESCCc1csc(NC(C)c2ccccc2N)n1
InChIInChI=1S/C13H17N3S/c1-3-10-8-17-13(16-10)15-9(2)11-6-4-5-7-12(11)14/h4-9H,3,14H2,1-2H3,(H,15,16)
InChIKeyUAHKMIJQFDPNKO-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.46
Rot. Bonds4

About N-[1-(2-aminophenyl)ethyl]-4-ethyl-1,3-thiazol-2-amine

N-[1-(2-aminophenyl)ethyl]-4-ethyl-1,3-thiazol-2-amine (PubChem CID 55152929) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is N-[1-(2-aminophenyl)ethyl]-4-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(2-aminophenyl)ethyl]-4-ethyl-1,3-thiazol-2-amine
PubChem CID55152929
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC NameN-[1-(2-aminophenyl)ethyl]-4-ethyl-1,3-thiazol-2-amine
SMILESCCc1csc(NC(C)c2ccccc2N)n1
InChIInChI=1S/C13H17N3S/c1-3-10-8-17-13(16-10)15-9(2)11-6-4-5-7-12(11)14/h4-9H,3,14H2,1-2H3,(H,15,16)
InChIKeyUAHKMIJQFDPNKO-UHFFFAOYSA-N
XLogP3.46
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[1-(2-aminophenyl)ethyl]-4-ethyl-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(2-aminophenyl)ethyl]-4-ethyl-1,3-thiazol-2-amine (CID 55152929) is N-[1-(2-aminophenyl)ethyl]-4-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(2-aminophenyl)ethyl]-4-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(2-aminophenyl)ethyl]-4-ethyl-1,3-thiazol-2-amine is CCc1csc(NC(C)c2ccccc2N)n1.
What is the InChIKey of N-[1-(2-aminophenyl)ethyl]-4-ethyl-1,3-thiazol-2-amine?
The InChIKey is UAHKMIJQFDPNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-3-10-8-17-13(16-10)15-9(2)11-6-4-5-7-12(11)14/h4-9H,3,14H2,1-2H3,(H,15,16).
What are the key properties of N-[1-(2-aminophenyl)ethyl]-4-ethyl-1,3-thiazol-2-amine?
N-[1-(2-aminophenyl)ethyl]-4-ethyl-1,3-thiazol-2-amine has a molecular weight of 247.37 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminophenyl)ethyl]-4-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 55152929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).