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

C8H12F3N3S — CID 102768859

IUPAC2-N-(5,5,5-trifluoropentyl)-1,3-thiazole-2,5-diamine
SMILESNc1cnc(NCCCCC(F)(F)F)s1
InChIInChI=1S/C8H12F3N3S/c9-8(10,11)3-1-2-4-13-7-14-5-6(12)15-7/h5H,1-4,12H2,(H,13,14)
InChIKeyOHQJZKLYMJNJCP-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.87
Rot. Bonds5

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

2-N-(5,5,5-trifluoropentyl)-1,3-thiazole-2,5-diamine (PubChem CID 102768859) has the molecular formula C8H12F3N3S and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-N-(5,5,5-trifluoropentyl)-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(5,5,5-trifluoropentyl)-1,3-thiazole-2,5-diamine
PubChem CID102768859
Molecular FormulaC8H12F3N3S
Molecular Weight239.27 g/mol
Exact Mass239.07
IUPAC Name2-N-(5,5,5-trifluoropentyl)-1,3-thiazole-2,5-diamine
SMILESNc1cnc(NCCCCC(F)(F)F)s1
InChIInChI=1S/C8H12F3N3S/c9-8(10,11)3-1-2-4-13-7-14-5-6(12)15-7/h5H,1-4,12H2,(H,13,14)
InChIKeyOHQJZKLYMJNJCP-UHFFFAOYSA-N
XLogP2.87
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-N-(5,5,5-trifluoropentyl)-1,3-thiazole-2,5-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 2-N-(5,5,5-trifluoropentyl)-1,3-thiazole-2,5-diamine?
The IUPAC name of 2-N-(5,5,5-trifluoropentyl)-1,3-thiazole-2,5-diamine (CID 102768859) is 2-N-(5,5,5-trifluoropentyl)-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 2-N-(5,5,5-trifluoropentyl)-1,3-thiazole-2,5-diamine?
The canonical SMILES for 2-N-(5,5,5-trifluoropentyl)-1,3-thiazole-2,5-diamine is Nc1cnc(NCCCCC(F)(F)F)s1.
What is the InChIKey of 2-N-(5,5,5-trifluoropentyl)-1,3-thiazole-2,5-diamine?
The InChIKey is OHQJZKLYMJNJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3S/c9-8(10,11)3-1-2-4-13-7-14-5-6(12)15-7/h5H,1-4,12H2,(H,13,14).
What are the key properties of 2-N-(5,5,5-trifluoropentyl)-1,3-thiazole-2,5-diamine?
2-N-(5,5,5-trifluoropentyl)-1,3-thiazole-2,5-diamine has a molecular weight of 239.27 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5,5,5-trifluoropentyl)-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 102768859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).