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

C14H16ClF3N2S — CID 62522916

IUPACN-[2-chloro-6-(trifluoromethyl)phenyl]-4,4-diethyl-5H-1,3-thiazol-2-amine
SMILESCCC1(CC)CSC(Nc2c(Cl)cccc2C(F)(F)F)=N1
InChIInChI=1S/C14H16ClF3N2S/c1-3-13(4-2)8-21-12(20-13)19-11-9(14(16,17)18)6-5-7-10(11)15/h5-7H,3-4,8H2,1-2H3,(H,19,20)
InChIKeyRPTGLWAAKJEZAI-UHFFFAOYSA-N
MW336.81 g/mol
LogP5.43
Rot. Bonds3

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

N-[2-chloro-6-(trifluoromethyl)phenyl]-4,4-diethyl-5H-1,3-thiazol-2-amine (PubChem CID 62522916) has the molecular formula C14H16ClF3N2S and a molecular weight of 336.81 g/mol. Its IUPAC name is N-[2-chloro-6-(trifluoromethyl)phenyl]-4,4-diethyl-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-chloro-6-(trifluoromethyl)phenyl]-4,4-diethyl-5H-1,3-thiazol-2-amine
PubChem CID62522916
Molecular FormulaC14H16ClF3N2S
Molecular Weight336.81 g/mol
Exact Mass336.07
IUPAC NameN-[2-chloro-6-(trifluoromethyl)phenyl]-4,4-diethyl-5H-1,3-thiazol-2-amine
SMILESCCC1(CC)CSC(Nc2c(Cl)cccc2C(F)(F)F)=N1
InChIInChI=1S/C14H16ClF3N2S/c1-3-13(4-2)8-21-12(20-13)19-11-9(14(16,17)18)6-5-7-10(11)15/h5-7H,3-4,8H2,1-2H3,(H,19,20)
InChIKeyRPTGLWAAKJEZAI-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

m-Toluidine, 6-chloro-alpha,alpha,alpha-trifluoro-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-
CID 297485
N-(2-chlorophenyl)-4,4-dimethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2378239
N-(2-chlorophenyl)-4-methylidene-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 2807109
N-(3-chloro-2-methylphenyl)-4,4-dimethyl-5-methylidene-1,3-thiazol-2-amine
CID 2807278
N-(4-chloro-2-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2865536
N-[2-chloro-5-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 297738
N-[2-chloro-5-(trifluoromethyl)phenyl]-4H-3,1-benzothiazin-2-amine
CID 4852845
N-[2-chloro-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine;hydrochloride
CID 24194506
N-(4-Chloro-2-methylphenyl)-4,5-dihydro-2-thiazolamine
CID 14033151
1-[2-Chloro-6-(trifluoromethyl)phenyl]-3-(4,5-dihydro-1,3-thiazol-2-yl)urea
CID 54151757
1-[2-Chloro-6-(trifluoromethyl)phenyl]-3-(3-ethyl-1,3-thiazolidin-2-ylidene)urea
CID 54190815
N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(1,2,2,2-tetrafluoroethylidene)-4,4-bis(trifluoromethyl)-1,3-thiazol-2-amine
CID 54302763

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]-4,4-diethyl-5H-1,3-thiazol-2-amine?
The IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]-4,4-diethyl-5H-1,3-thiazol-2-amine (CID 62522916) is N-[2-chloro-6-(trifluoromethyl)phenyl]-4,4-diethyl-5H-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-chloro-6-(trifluoromethyl)phenyl]-4,4-diethyl-5H-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-chloro-6-(trifluoromethyl)phenyl]-4,4-diethyl-5H-1,3-thiazol-2-amine is CCC1(CC)CSC(Nc2c(Cl)cccc2C(F)(F)F)=N1.
What is the InChIKey of N-[2-chloro-6-(trifluoromethyl)phenyl]-4,4-diethyl-5H-1,3-thiazol-2-amine?
The InChIKey is RPTGLWAAKJEZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N2S/c1-3-13(4-2)8-21-12(20-13)19-11-9(14(16,17)18)6-5-7-10(11)15/h5-7H,3-4,8H2,1-2H3,(H,19,20).
What are the key properties of N-[2-chloro-6-(trifluoromethyl)phenyl]-4,4-diethyl-5H-1,3-thiazol-2-amine?
N-[2-chloro-6-(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-6-(trifluoromethyl)phenyl]-4,4-diethyl-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 62522916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).