4,4-diethyl-N-(2,4,5-trichlorophenyl)-5H-1,3-thiazol-2-amine

C13H15Cl3N2S — CID 55081372

IUPAC4,4-diethyl-N-(2,4,5-trichlorophenyl)-5H-1,3-thiazol-2-amine
SMILESCCC1(CC)CSC(Nc2cc(Cl)c(Cl)cc2Cl)=N1
InChIInChI=1S/C13H15Cl3N2S/c1-3-13(4-2)7-19-12(18-13)17-11-6-9(15)8(14)5-10(11)16/h5-6H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyQAOUCXWYLLYVNM-UHFFFAOYSA-N
MW337.70 g/mol
LogP5.72
Rot. Bonds3

About 4,4-diethyl-N-(2,4,5-trichlorophenyl)-5H-1,3-thiazol-2-amine

4,4-diethyl-N-(2,4,5-trichlorophenyl)-5H-1,3-thiazol-2-amine (PubChem CID 55081372) has the molecular formula C13H15Cl3N2S and a molecular weight of 337.70 g/mol. Its IUPAC name is 4,4-diethyl-N-(2,4,5-trichlorophenyl)-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,4-diethyl-N-(2,4,5-trichlorophenyl)-5H-1,3-thiazol-2-amine
PubChem CID55081372
Molecular FormulaC13H15Cl3N2S
Molecular Weight337.70 g/mol
Exact Mass336.00
IUPAC Name4,4-diethyl-N-(2,4,5-trichlorophenyl)-5H-1,3-thiazol-2-amine
SMILESCCC1(CC)CSC(Nc2cc(Cl)c(Cl)cc2Cl)=N1
InChIInChI=1S/C13H15Cl3N2S/c1-3-13(4-2)7-19-12(18-13)17-11-6-9(15)8(14)5-10(11)16/h5-6H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyQAOUCXWYLLYVNM-UHFFFAOYSA-N
XLogP5.72
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.70
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 4,4-diethyl-N-(2,4,5-trichlorophenyl)-5H-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4-diethyl-N-(2,4,5-trichlorophenyl)-5H-1,3-thiazol-2-amine?
The IUPAC name of 4,4-diethyl-N-(2,4,5-trichlorophenyl)-5H-1,3-thiazol-2-amine (CID 55081372) is 4,4-diethyl-N-(2,4,5-trichlorophenyl)-5H-1,3-thiazol-2-amine.
What is the SMILES notation for 4,4-diethyl-N-(2,4,5-trichlorophenyl)-5H-1,3-thiazol-2-amine?
The canonical SMILES for 4,4-diethyl-N-(2,4,5-trichlorophenyl)-5H-1,3-thiazol-2-amine is CCC1(CC)CSC(Nc2cc(Cl)c(Cl)cc2Cl)=N1.
What is the InChIKey of 4,4-diethyl-N-(2,4,5-trichlorophenyl)-5H-1,3-thiazol-2-amine?
The InChIKey is QAOUCXWYLLYVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl3N2S/c1-3-13(4-2)7-19-12(18-13)17-11-6-9(15)8(14)5-10(11)16/h5-6H,3-4,7H2,1-2H3,(H,17,18).
What are the key properties of 4,4-diethyl-N-(2,4,5-trichlorophenyl)-5H-1,3-thiazol-2-amine?
4,4-diethyl-N-(2,4,5-trichlorophenyl)-5H-1,3-thiazol-2-amine has a molecular weight of 337.70 g/mol, XLogP of 5.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethyl-N-(2,4,5-trichlorophenyl)-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 55081372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).