N-[2-chloro-6-(trifluoromethyl)phenyl]-4-methyl-4,5-dihydro-1,3-thiazol-2-amine

C11H10ClF3N2S — CID 43382040

IUPACN-[2-chloro-6-(trifluoromethyl)phenyl]-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CSC(Nc2c(Cl)cccc2C(F)(F)F)=N1
InChIInChI=1S/C11H10ClF3N2S/c1-6-5-18-10(16-6)17-9-7(11(13,14)15)3-2-4-8(9)12/h2-4,6H,5H2,1H3,(H,16,17)
InChIKeyFCQLXMNUPHYFCW-UHFFFAOYSA-N
MW294.73 g/mol
LogP4.26
Rot. Bonds1

About N-[2-chloro-6-(trifluoromethyl)phenyl]-4-methyl-4,5-dihydro-1,3-thiazol-2-amine

N-[2-chloro-6-(trifluoromethyl)phenyl]-4-methyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 43382040) has the molecular formula C11H10ClF3N2S and a molecular weight of 294.73 g/mol. Its IUPAC name is N-[2-chloro-6-(trifluoromethyl)phenyl]-4-methyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-chloro-6-(trifluoromethyl)phenyl]-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID43382040
Molecular FormulaC11H10ClF3N2S
Molecular Weight294.73 g/mol
Exact Mass294.02
IUPAC NameN-[2-chloro-6-(trifluoromethyl)phenyl]-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CSC(Nc2c(Cl)cccc2C(F)(F)F)=N1
InChIInChI=1S/C11H10ClF3N2S/c1-6-5-18-10(16-6)17-9-7(11(13,14)15)3-2-4-8(9)12/h2-4,6H,5H2,1H3,(H,16,17)
InChIKeyFCQLXMNUPHYFCW-UHFFFAOYSA-N
XLogP4.26
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.73
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]-4-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]-4-methyl-4,5-dihydro-1,3-thiazol-2-amine (CID 43382040) is N-[2-chloro-6-(trifluoromethyl)phenyl]-4-methyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-chloro-6-(trifluoromethyl)phenyl]-4-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-chloro-6-(trifluoromethyl)phenyl]-4-methyl-4,5-dihydro-1,3-thiazol-2-amine is CC1CSC(Nc2c(Cl)cccc2C(F)(F)F)=N1.
What is the InChIKey of N-[2-chloro-6-(trifluoromethyl)phenyl]-4-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is FCQLXMNUPHYFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N2S/c1-6-5-18-10(16-6)17-9-7(11(13,14)15)3-2-4-8(9)12/h2-4,6H,5H2,1H3,(H,16,17).
What are the key properties of N-[2-chloro-6-(trifluoromethyl)phenyl]-4-methyl-4,5-dihydro-1,3-thiazol-2-amine?
N-[2-chloro-6-(trifluoromethyl)phenyl]-4-methyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 294.73 g/mol, XLogP of 4.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-6-(trifluoromethyl)phenyl]-4-methyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 43382040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).