N-[2-chloro-4-(trifluoromethyl)phenyl]-4,4-diethyl-5H-1,3-thiazol-2-amine

C14H16ClF3N2S — CID 63668464

IUPACN-[2-chloro-4-(trifluoromethyl)phenyl]-4,4-diethyl-5H-1,3-thiazol-2-amine
SMILESCCC1(CC)CSC(Nc2ccc(C(F)(F)F)cc2Cl)=N1
InChIInChI=1S/C14H16ClF3N2S/c1-3-13(4-2)8-21-12(20-13)19-11-6-5-9(7-10(11)15)14(16,17)18/h5-7H,3-4,8H2,1-2H3,(H,19,20)
InChIKeyHESGDFANACHFAW-UHFFFAOYSA-N
MW336.81 g/mol
LogP5.43
Rot. Bonds3

About N-[2-chloro-4-(trifluoromethyl)phenyl]-4,4-diethyl-5H-1,3-thiazol-2-amine

N-[2-chloro-4-(trifluoromethyl)phenyl]-4,4-diethyl-5H-1,3-thiazol-2-amine (PubChem CID 63668464) has the molecular formula C14H16ClF3N2S and a molecular weight of 336.81 g/mol. Its IUPAC name is N-[2-chloro-4-(trifluoromethyl)phenyl]-4,4-diethyl-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-chloro-4-(trifluoromethyl)phenyl]-4,4-diethyl-5H-1,3-thiazol-2-amine
PubChem CID63668464
Molecular FormulaC14H16ClF3N2S
Molecular Weight336.81 g/mol
Exact Mass336.07
IUPAC NameN-[2-chloro-4-(trifluoromethyl)phenyl]-4,4-diethyl-5H-1,3-thiazol-2-amine
SMILESCCC1(CC)CSC(Nc2ccc(C(F)(F)F)cc2Cl)=N1
InChIInChI=1S/C14H16ClF3N2S/c1-3-13(4-2)8-21-12(20-13)19-11-6-5-9(7-10(11)15)14(16,17)18/h5-7H,3-4,8H2,1-2H3,(H,19,20)
InChIKeyHESGDFANACHFAW-UHFFFAOYSA-N
XLogP5.43
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.81
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-diethyl-N-(2,4,5-trichlorophenyl)-5H-1,3-thiazol-2-amine
CID 55081372
N-(4-chloro-3-fluorophenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine
CID 62517851
N-(2,3-dimethylphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine
CID 62523651
4,4-diethyl-N-[4-(trifluoromethoxy)phenyl]-5H-1,3-thiazol-2-amine
CID 62524656
N-[2-chloro-5-(trifluoromethyl)phenyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361112
4,4-diethyl-N-(2,3,4,5,6-pentafluorophenyl)-5H-1,3-thiazol-2-amine
CID 115564684
4,4-diethyl-N-(2,3,5,6-tetrafluorophenyl)-5H-1,3-thiazol-2-amine
CID 107645461
4,4-diethyl-N-(4-ethylphenyl)-5H-1,3-thiazol-2-amine
CID 55081235
3,6-dichloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine
CID 81037637
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4,4-diethyl-5H-1,3-thiazol-2-amine
CID 62524659
N-[2-chloro-4-(trifluoromethyl)phenyl]hydroxylamine
CID 54381375
4,4-diethyl-N-(1-methylpyrazol-3-yl)-5H-1,3-thiazol-2-amine
CID 62519245

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(trifluoromethyl)phenyl]-4,4-diethyl-5H-1,3-thiazol-2-amine?
The IUPAC name of N-[2-chloro-4-(trifluoromethyl)phenyl]-4,4-diethyl-5H-1,3-thiazol-2-amine (CID 63668464) is N-[2-chloro-4-(trifluoromethyl)phenyl]-4,4-diethyl-5H-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-chloro-4-(trifluoromethyl)phenyl]-4,4-diethyl-5H-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-chloro-4-(trifluoromethyl)phenyl]-4,4-diethyl-5H-1,3-thiazol-2-amine is CCC1(CC)CSC(Nc2ccc(C(F)(F)F)cc2Cl)=N1.
What is the InChIKey of N-[2-chloro-4-(trifluoromethyl)phenyl]-4,4-diethyl-5H-1,3-thiazol-2-amine?
The InChIKey is HESGDFANACHFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N2S/c1-3-13(4-2)8-21-12(20-13)19-11-6-5-9(7-10(11)15)14(16,17)18/h5-7H,3-4,8H2,1-2H3,(H,19,20).
What are the key properties of N-[2-chloro-4-(trifluoromethyl)phenyl]-4,4-diethyl-5H-1,3-thiazol-2-amine?
N-[2-chloro-4-(trifluoromethyl)phenyl]-4,4-diethyl-5H-1,3-thiazol-2-amine has a molecular weight of 336.81 g/mol, XLogP of 5.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(trifluoromethyl)phenyl]-4,4-diethyl-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 63668464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).