5-ethyl-N-(2,3,5,6-tetrafluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine

C11H10F4N2S — CID 107645457

IUPAC5-ethyl-N-(2,3,5,6-tetrafluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CN=C(Nc2c(F)c(F)cc(F)c2F)S1
InChIInChI=1S/C11H10F4N2S/c1-2-5-4-16-11(18-5)17-10-8(14)6(12)3-7(13)9(10)15/h3,5H,2,4H2,1H3,(H,16,17)
InChIKeyUAOGUCQFCGRCIS-UHFFFAOYSA-N
MW278.27 g/mol
LogP3.54
Rot. Bonds2

About 5-ethyl-N-(2,3,5,6-tetrafluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine

5-ethyl-N-(2,3,5,6-tetrafluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107645457) has the molecular formula C11H10F4N2S and a molecular weight of 278.27 g/mol. Its IUPAC name is 5-ethyl-N-(2,3,5,6-tetrafluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N-(2,3,5,6-tetrafluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107645457
Molecular FormulaC11H10F4N2S
Molecular Weight278.27 g/mol
Exact Mass278.05
IUPAC Name5-ethyl-N-(2,3,5,6-tetrafluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CN=C(Nc2c(F)c(F)cc(F)c2F)S1
InChIInChI=1S/C11H10F4N2S/c1-2-5-4-16-11(18-5)17-10-8(14)6(12)3-7(13)9(10)15/h3,5H,2,4H2,1H3,(H,16,17)
InChIKeyUAOGUCQFCGRCIS-UHFFFAOYSA-N
XLogP3.54
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-ethyl-N-(2,3,5,6-tetrafluorophenyl)-4,5-dihydro-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 5-ethyl-N-(2,3,5,6-tetrafluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-ethyl-N-(2,3,5,6-tetrafluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 107645457) is 5-ethyl-N-(2,3,5,6-tetrafluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-ethyl-N-(2,3,5,6-tetrafluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-ethyl-N-(2,3,5,6-tetrafluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine is CCC1CN=C(Nc2c(F)c(F)cc(F)c2F)S1.
What is the InChIKey of 5-ethyl-N-(2,3,5,6-tetrafluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is UAOGUCQFCGRCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4N2S/c1-2-5-4-16-11(18-5)17-10-8(14)6(12)3-7(13)9(10)15/h3,5H,2,4H2,1H3,(H,16,17).
What are the key properties of 5-ethyl-N-(2,3,5,6-tetrafluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-ethyl-N-(2,3,5,6-tetrafluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 278.27 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(2,3,5,6-tetrafluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107645457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).