4-ethoxy-5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine

C10H16F3N3OS — CID 103364976

IUPAC4-ethoxy-5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1NCCCCC(F)(F)F
InChIInChI=1S/C10H16F3N3OS/c1-2-17-7-8(14)16-18-9(7)15-6-4-3-5-10(11,12)13/h15H,2-6H2,1H3,(H2,14,16)
InChIKeyMTKKNEFIHVGLNZ-UHFFFAOYSA-N
MW283.32 g/mol
LogP3.27
Rot. Bonds7

About 4-ethoxy-5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine

4-ethoxy-5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine (PubChem CID 103364976) has the molecular formula C10H16F3N3OS and a molecular weight of 283.32 g/mol. Its IUPAC name is 4-ethoxy-5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-ethoxy-5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine
PubChem CID103364976
Molecular FormulaC10H16F3N3OS
Molecular Weight283.32 g/mol
Exact Mass283.10
IUPAC Name4-ethoxy-5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1NCCCCC(F)(F)F
InChIInChI=1S/C10H16F3N3OS/c1-2-17-7-8(14)16-18-9(7)15-6-4-3-5-10(11,12)13/h15H,2-6H2,1H3,(H2,14,16)
InChIKeyMTKKNEFIHVGLNZ-UHFFFAOYSA-N
XLogP3.27
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-ethoxy-5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine 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-ethoxy-5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-ethoxy-5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine (CID 103364976) is 4-ethoxy-5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-ethoxy-5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-ethoxy-5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine is CCOc1c(N)nsc1NCCCCC(F)(F)F.
What is the InChIKey of 4-ethoxy-5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine?
The InChIKey is MTKKNEFIHVGLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3OS/c1-2-17-7-8(14)16-18-9(7)15-6-4-3-5-10(11,12)13/h15H,2-6H2,1H3,(H2,14,16).
What are the key properties of 4-ethoxy-5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine?
4-ethoxy-5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine has a molecular weight of 283.32 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103364976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).