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

C14H16ClF3N2S — CID 62524668

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-4,4-diethyl-5H-1,3-thiazol-2-amine
SMILESCCC1(CC)CSC(Nc2cc(C(F)(F)F)ccc2Cl)=N1
InChIInChI=1S/C14H16ClF3N2S/c1-3-13(4-2)8-21-12(20-13)19-11-7-9(14(16,17)18)5-6-10(11)15/h5-7H,3-4,8H2,1-2H3,(H,19,20)
InChIKeyINNGLYBCBSXMJW-UHFFFAOYSA-N
MW336.81 g/mol
LogP5.43
Rot. Bonds3

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

N-[2-chloro-5-(trifluoromethyl)phenyl]-4,4-diethyl-5H-1,3-thiazol-2-amine (PubChem CID 62524668) has the molecular formula C14H16ClF3N2S and a molecular weight of 336.81 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-4,4-diethyl-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-4,4-diethyl-5H-1,3-thiazol-2-amine
PubChem CID62524668
Molecular FormulaC14H16ClF3N2S
Molecular Weight336.81 g/mol
Exact Mass336.07
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-4,4-diethyl-5H-1,3-thiazol-2-amine
SMILESCCC1(CC)CSC(Nc2cc(C(F)(F)F)ccc2Cl)=N1
InChIInChI=1S/C14H16ClF3N2S/c1-3-13(4-2)8-21-12(20-13)19-11-7-9(14(16,17)18)5-6-10(11)15/h5-7H,3-4,8H2,1-2H3,(H,19,20)
InChIKeyINNGLYBCBSXMJW-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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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-4,4-diethyl-5H-1,3-thiazol-2-amine?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-4,4-diethyl-5H-1,3-thiazol-2-amine (CID 62524668) is N-[2-chloro-5-(trifluoromethyl)phenyl]-4,4-diethyl-5H-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-4,4-diethyl-5H-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-4,4-diethyl-5H-1,3-thiazol-2-amine is CCC1(CC)CSC(Nc2cc(C(F)(F)F)ccc2Cl)=N1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-4,4-diethyl-5H-1,3-thiazol-2-amine?
The InChIKey is INNGLYBCBSXMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N2S/c1-3-13(4-2)8-21-12(20-13)19-11-7-9(14(16,17)18)5-6-10(11)15/h5-7H,3-4,8H2,1-2H3,(H,19,20).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-4,4-diethyl-5H-1,3-thiazol-2-amine?
N-[2-chloro-5-(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-5-(trifluoromethyl)phenyl]-4,4-diethyl-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 62524668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).