N-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

C16H16F4N2S — CID 73425292

IUPACN-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESFc1ccc(C(F)(F)F)cc1-c1cnc(NC2CCCCC2)s1
InChIInChI=1S/C16H16F4N2S/c17-13-7-6-10(16(18,19)20)8-12(13)14-9-21-15(23-14)22-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H,21,22)
InChIKeyHQLPVVQCAMULNY-UHFFFAOYSA-N
MW344.38 g/mol
LogP5.71
Rot. Bonds3

About N-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

N-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 73425292) has the molecular formula C16H16F4N2S and a molecular weight of 344.38 g/mol. Its IUPAC name is N-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID73425292
Molecular FormulaC16H16F4N2S
Molecular Weight344.38 g/mol
Exact Mass344.10
IUPAC NameN-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESFc1ccc(C(F)(F)F)cc1-c1cnc(NC2CCCCC2)s1
InChIInChI=1S/C16H16F4N2S/c17-13-7-6-10(16(18,19)20)8-12(13)14-9-21-15(23-14)22-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H,21,22)
InChIKeyHQLPVVQCAMULNY-UHFFFAOYSA-N
XLogP5.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.38
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 73425292) is N-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is Fc1ccc(C(F)(F)F)cc1-c1cnc(NC2CCCCC2)s1.
What is the InChIKey of N-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is HQLPVVQCAMULNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F4N2S/c17-13-7-6-10(16(18,19)20)8-12(13)14-9-21-15(23-14)22-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H,21,22).
What are the key properties of N-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
N-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 344.38 g/mol, XLogP of 5.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 73425292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).