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

C13H15Cl2FN2S — CID 83078453

IUPACN-(2,6-dichloro-4-fluorophenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine
SMILESCCC1(CC)CSC(Nc2c(Cl)cc(F)cc2Cl)=N1
InChIInChI=1S/C13H15Cl2FN2S/c1-3-13(4-2)7-19-12(18-13)17-11-9(14)5-8(16)6-10(11)15/h5-6H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyOLNZLUINIJTSIN-UHFFFAOYSA-N
MW321.25 g/mol
LogP5.21
Rot. Bonds3

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

N-(2,6-dichloro-4-fluorophenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine (PubChem CID 83078453) has the molecular formula C13H15Cl2FN2S and a molecular weight of 321.25 g/mol. Its IUPAC name is N-(2,6-dichloro-4-fluorophenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,6-dichloro-4-fluorophenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine
PubChem CID83078453
Molecular FormulaC13H15Cl2FN2S
Molecular Weight321.25 g/mol
Exact Mass320.03
IUPAC NameN-(2,6-dichloro-4-fluorophenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine
SMILESCCC1(CC)CSC(Nc2c(Cl)cc(F)cc2Cl)=N1
InChIInChI=1S/C13H15Cl2FN2S/c1-3-13(4-2)7-19-12(18-13)17-11-9(14)5-8(16)6-10(11)15/h5-6H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyOLNZLUINIJTSIN-UHFFFAOYSA-N
XLogP5.21
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.25
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-4-fluorophenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine?
The IUPAC name of N-(2,6-dichloro-4-fluorophenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine (CID 83078453) is N-(2,6-dichloro-4-fluorophenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,6-dichloro-4-fluorophenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,6-dichloro-4-fluorophenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine is CCC1(CC)CSC(Nc2c(Cl)cc(F)cc2Cl)=N1.
What is the InChIKey of N-(2,6-dichloro-4-fluorophenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine?
The InChIKey is OLNZLUINIJTSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2FN2S/c1-3-13(4-2)7-19-12(18-13)17-11-9(14)5-8(16)6-10(11)15/h5-6H,3-4,7H2,1-2H3,(H,17,18).
What are the key properties of N-(2,6-dichloro-4-fluorophenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine?
N-(2,6-dichloro-4-fluorophenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine has a molecular weight of 321.25 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-4-fluorophenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 83078453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).