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

C12H12ClF3N2S — CID 43439478

IUPACN-[2-chloro-6-(trifluoromethyl)phenyl]-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(Nc2c(Cl)cccc2C(F)(F)F)=N1
InChIInChI=1S/C12H12ClF3N2S/c1-2-7-6-19-11(17-7)18-10-8(12(14,15)16)4-3-5-9(10)13/h3-5,7H,2,6H2,1H3,(H,17,18)
InChIKeySFHMSHCRJPLOIZ-UHFFFAOYSA-N
MW308.76 g/mol
LogP4.65
Rot. Bonds2

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

N-[2-chloro-6-(trifluoromethyl)phenyl]-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 43439478) has the molecular formula C12H12ClF3N2S and a molecular weight of 308.76 g/mol. Its IUPAC name is N-[2-chloro-6-(trifluoromethyl)phenyl]-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-chloro-6-(trifluoromethyl)phenyl]-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID43439478
Molecular FormulaC12H12ClF3N2S
Molecular Weight308.76 g/mol
Exact Mass308.04
IUPAC NameN-[2-chloro-6-(trifluoromethyl)phenyl]-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(Nc2c(Cl)cccc2C(F)(F)F)=N1
InChIInChI=1S/C12H12ClF3N2S/c1-2-7-6-19-11(17-7)18-10-8(12(14,15)16)4-3-5-9(10)13/h3-5,7H,2,6H2,1H3,(H,17,18)
InChIKeySFHMSHCRJPLOIZ-UHFFFAOYSA-N
XLogP4.65
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 54.65
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-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine (CID 43439478) is N-[2-chloro-6-(trifluoromethyl)phenyl]-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-chloro-6-(trifluoromethyl)phenyl]-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-chloro-6-(trifluoromethyl)phenyl]-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine is CCC1CSC(Nc2c(Cl)cccc2C(F)(F)F)=N1.
What is the InChIKey of N-[2-chloro-6-(trifluoromethyl)phenyl]-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is SFHMSHCRJPLOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF3N2S/c1-2-7-6-19-11(17-7)18-10-8(12(14,15)16)4-3-5-9(10)13/h3-5,7H,2,6H2,1H3,(H,17,18).
What are the key properties of N-[2-chloro-6-(trifluoromethyl)phenyl]-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
N-[2-chloro-6-(trifluoromethyl)phenyl]-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 308.76 g/mol, XLogP of 4.65, 2 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-ethyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 43439478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).