4,5-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-thiazol-2-amine

C10H15F3N2S — CID 115486625

IUPAC4,5-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-thiazol-2-amine
SMILESCc1nc(NCCCCC(F)(F)F)sc1C
InChIInChI=1S/C10H15F3N2S/c1-7-8(2)16-9(15-7)14-6-4-3-5-10(11,12)13/h3-6H2,1-2H3,(H,14,15)
InChIKeyGPCFIRRRMMAJRX-UHFFFAOYSA-N
MW252.30 g/mol
LogP3.90
Rot. Bonds5

About 4,5-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-thiazol-2-amine

4,5-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-thiazol-2-amine (PubChem CID 115486625) has the molecular formula C10H15F3N2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 4,5-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-thiazol-2-amine
PubChem CID115486625
Molecular FormulaC10H15F3N2S
Molecular Weight252.30 g/mol
Exact Mass252.09
IUPAC Name4,5-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-thiazol-2-amine
SMILESCc1nc(NCCCCC(F)(F)F)sc1C
InChIInChI=1S/C10H15F3N2S/c1-7-8(2)16-9(15-7)14-6-4-3-5-10(11,12)13/h3-6H2,1-2H3,(H,14,15)
InChIKeyGPCFIRRRMMAJRX-UHFFFAOYSA-N
XLogP3.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4,5-dimethyl-N-(5,5,5-trifluoropentyl)-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 4,5-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-thiazol-2-amine?
The IUPAC name of 4,5-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-thiazol-2-amine (CID 115486625) is 4,5-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4,5-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4,5-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-thiazol-2-amine is Cc1nc(NCCCCC(F)(F)F)sc1C.
What is the InChIKey of 4,5-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-thiazol-2-amine?
The InChIKey is GPCFIRRRMMAJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2S/c1-7-8(2)16-9(15-7)14-6-4-3-5-10(11,12)13/h3-6H2,1-2H3,(H,14,15).
What are the key properties of 4,5-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-thiazol-2-amine?
4,5-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-thiazol-2-amine has a molecular weight of 252.30 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-(5,5,5-trifluoropentyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 115486625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).