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

C12H12ClF3N2S — CID 116700609

IUPACN-[3-chloro-5-(trifluoromethyl)phenyl]-4,4-dimethyl-5H-1,3-thiazol-2-amine
SMILESCC1(C)CSC(Nc2cc(Cl)cc(C(F)(F)F)c2)=N1
InChIInChI=1S/C12H12ClF3N2S/c1-11(2)6-19-10(18-11)17-9-4-7(12(14,15)16)3-8(13)5-9/h3-5H,6H2,1-2H3,(H,17,18)
InChIKeyYUPAHAWPXQLCGH-UHFFFAOYSA-N
MW308.76 g/mol
LogP4.65
Rot. Bonds1

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

N-[3-chloro-5-(trifluoromethyl)phenyl]-4,4-dimethyl-5H-1,3-thiazol-2-amine (PubChem CID 116700609) has the molecular formula C12H12ClF3N2S and a molecular weight of 308.76 g/mol. Its IUPAC name is N-[3-chloro-5-(trifluoromethyl)phenyl]-4,4-dimethyl-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[3-chloro-5-(trifluoromethyl)phenyl]-4,4-dimethyl-5H-1,3-thiazol-2-amine
PubChem CID116700609
Molecular FormulaC12H12ClF3N2S
Molecular Weight308.76 g/mol
Exact Mass308.04
IUPAC NameN-[3-chloro-5-(trifluoromethyl)phenyl]-4,4-dimethyl-5H-1,3-thiazol-2-amine
SMILESCC1(C)CSC(Nc2cc(Cl)cc(C(F)(F)F)c2)=N1
InChIInChI=1S/C12H12ClF3N2S/c1-11(2)6-19-10(18-11)17-9-4-7(12(14,15)16)3-8(13)5-9/h3-5H,6H2,1-2H3,(H,17,18)
InChIKeyYUPAHAWPXQLCGH-UHFFFAOYSA-N
XLogP4.65
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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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Related Compounds

N-[3-chloro-5-(trifluoromethyl)phenyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 116700615
N-[3-chloro-5-(trifluoromethyl)phenyl]-4,5-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 116700612
N-[3-chloro-5-(trifluoromethyl)phenyl]-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 116700611
3-chloro-N-methyl-5-(trifluoromethyl)aniline;ethane
CID 144857976
3-chloro-N-(2,2-dimethylpropyl)-5-(trifluoromethyl)aniline
CID 116699062
N-(3,5-dichlorophenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
CID 62524652
2-chloro-N-[3-chloro-5-(trifluoromethyl)phenyl]-6-methylpyrimidin-4-amine
CID 116700654
N-[3-chloro-5-(trifluoromethyl)phenyl]-5,5-dimethylthian-3-amine
CID 116699027
4-N-[3-chloro-5-(trifluoromethyl)phenyl]-6-N,2-dimethylpyrimidine-4,6-diamine
CID 116701005
4-N-[3-chloro-5-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 116701008
N-(2-chloro-5-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 107637550
1-chloro-3,5-bis(trifluoromethyl)benzene
CID 2769405

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-(trifluoromethyl)phenyl]-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The IUPAC name of N-[3-chloro-5-(trifluoromethyl)phenyl]-4,4-dimethyl-5H-1,3-thiazol-2-amine (CID 116700609) is N-[3-chloro-5-(trifluoromethyl)phenyl]-4,4-dimethyl-5H-1,3-thiazol-2-amine.
What is the SMILES notation for N-[3-chloro-5-(trifluoromethyl)phenyl]-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The canonical SMILES for N-[3-chloro-5-(trifluoromethyl)phenyl]-4,4-dimethyl-5H-1,3-thiazol-2-amine is CC1(C)CSC(Nc2cc(Cl)cc(C(F)(F)F)c2)=N1.
What is the InChIKey of N-[3-chloro-5-(trifluoromethyl)phenyl]-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The InChIKey is YUPAHAWPXQLCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF3N2S/c1-11(2)6-19-10(18-11)17-9-4-7(12(14,15)16)3-8(13)5-9/h3-5H,6H2,1-2H3,(H,17,18).
What are the key properties of N-[3-chloro-5-(trifluoromethyl)phenyl]-4,4-dimethyl-5H-1,3-thiazol-2-amine?
N-[3-chloro-5-(trifluoromethyl)phenyl]-4,4-dimethyl-5H-1,3-thiazol-2-amine has a molecular weight of 308.76 g/mol, XLogP of 4.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-(trifluoromethyl)phenyl]-4,4-dimethyl-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 116700609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).