4,4-diethyl-N-(2,3,5,6-tetrafluorophenyl)-5H-1,3-thiazol-2-amine

C13H14F4N2S — CID 107645461

IUPAC4,4-diethyl-N-(2,3,5,6-tetrafluorophenyl)-5H-1,3-thiazol-2-amine
SMILESCCC1(CC)CSC(Nc2c(F)c(F)cc(F)c2F)=N1
InChIInChI=1S/C13H14F4N2S/c1-3-13(4-2)6-20-12(19-13)18-11-9(16)7(14)5-8(15)10(11)17/h5H,3-4,6H2,1-2H3,(H,18,19)
InChIKeyBEAOUYRLOLFPRL-UHFFFAOYSA-N
MW306.33 g/mol
LogP4.32
Rot. Bonds3

About 4,4-diethyl-N-(2,3,5,6-tetrafluorophenyl)-5H-1,3-thiazol-2-amine

4,4-diethyl-N-(2,3,5,6-tetrafluorophenyl)-5H-1,3-thiazol-2-amine (PubChem CID 107645461) has the molecular formula C13H14F4N2S and a molecular weight of 306.33 g/mol. Its IUPAC name is 4,4-diethyl-N-(2,3,5,6-tetrafluorophenyl)-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,4-diethyl-N-(2,3,5,6-tetrafluorophenyl)-5H-1,3-thiazol-2-amine
PubChem CID107645461
Molecular FormulaC13H14F4N2S
Molecular Weight306.33 g/mol
Exact Mass306.08
IUPAC Name4,4-diethyl-N-(2,3,5,6-tetrafluorophenyl)-5H-1,3-thiazol-2-amine
SMILESCCC1(CC)CSC(Nc2c(F)c(F)cc(F)c2F)=N1
InChIInChI=1S/C13H14F4N2S/c1-3-13(4-2)6-20-12(19-13)18-11-9(16)7(14)5-8(15)10(11)17/h5H,3-4,6H2,1-2H3,(H,18,19)
InChIKeyBEAOUYRLOLFPRL-UHFFFAOYSA-N
XLogP4.32
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-diethyl-N-(2,3,5,6-tetrafluorophenyl)-5H-1,3-thiazol-2-amine?
The IUPAC name of 4,4-diethyl-N-(2,3,5,6-tetrafluorophenyl)-5H-1,3-thiazol-2-amine (CID 107645461) is 4,4-diethyl-N-(2,3,5,6-tetrafluorophenyl)-5H-1,3-thiazol-2-amine.
What is the SMILES notation for 4,4-diethyl-N-(2,3,5,6-tetrafluorophenyl)-5H-1,3-thiazol-2-amine?
The canonical SMILES for 4,4-diethyl-N-(2,3,5,6-tetrafluorophenyl)-5H-1,3-thiazol-2-amine is CCC1(CC)CSC(Nc2c(F)c(F)cc(F)c2F)=N1.
What is the InChIKey of 4,4-diethyl-N-(2,3,5,6-tetrafluorophenyl)-5H-1,3-thiazol-2-amine?
The InChIKey is BEAOUYRLOLFPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F4N2S/c1-3-13(4-2)6-20-12(19-13)18-11-9(16)7(14)5-8(15)10(11)17/h5H,3-4,6H2,1-2H3,(H,18,19).
What are the key properties of 4,4-diethyl-N-(2,3,5,6-tetrafluorophenyl)-5H-1,3-thiazol-2-amine?
4,4-diethyl-N-(2,3,5,6-tetrafluorophenyl)-5H-1,3-thiazol-2-amine has a molecular weight of 306.33 g/mol, XLogP of 4.32, 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-(2,3,5,6-tetrafluorophenyl)-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 107645461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).