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

C11H11Cl2FN2S — CID 83077987

IUPACN-(2,6-dichloro-4-fluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
SMILESCC1(C)CSC(Nc2c(Cl)cc(F)cc2Cl)=N1
InChIInChI=1S/C11H11Cl2FN2S/c1-11(2)5-17-10(16-11)15-9-7(12)3-6(14)4-8(9)13/h3-4H,5H2,1-2H3,(H,15,16)
InChIKeyHYSBQKCIAPYQTE-UHFFFAOYSA-N
MW293.19 g/mol
LogP4.43
Rot. Bonds1

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

N-(2,6-dichloro-4-fluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine (PubChem CID 83077987) has the molecular formula C11H11Cl2FN2S and a molecular weight of 293.19 g/mol. Its IUPAC name is N-(2,6-dichloro-4-fluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,6-dichloro-4-fluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
PubChem CID83077987
Molecular FormulaC11H11Cl2FN2S
Molecular Weight293.19 g/mol
Exact Mass292.00
IUPAC NameN-(2,6-dichloro-4-fluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
SMILESCC1(C)CSC(Nc2c(Cl)cc(F)cc2Cl)=N1
InChIInChI=1S/C11H11Cl2FN2S/c1-11(2)5-17-10(16-11)15-9-7(12)3-6(14)4-8(9)13/h3-4H,5H2,1-2H3,(H,15,16)
InChIKeyHYSBQKCIAPYQTE-UHFFFAOYSA-N
XLogP4.43
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 54.43
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-dimethyl-5H-1,3-thiazol-2-amine?
The IUPAC name of N-(2,6-dichloro-4-fluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine (CID 83077987) is N-(2,6-dichloro-4-fluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,6-dichloro-4-fluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,6-dichloro-4-fluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine is CC1(C)CSC(Nc2c(Cl)cc(F)cc2Cl)=N1.
What is the InChIKey of N-(2,6-dichloro-4-fluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The InChIKey is HYSBQKCIAPYQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2FN2S/c1-11(2)5-17-10(16-11)15-9-7(12)3-6(14)4-8(9)13/h3-4H,5H2,1-2H3,(H,15,16).
What are the key properties of N-(2,6-dichloro-4-fluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
N-(2,6-dichloro-4-fluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine has a molecular weight of 293.19 g/mol, XLogP of 4.43, 1 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-dimethyl-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 83077987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).