N-[3,5-bis(trifluoromethyl)phenyl]-4-(4-chlorophenyl)-1,3-thiazol-2-amine

C17H9ClF6N2S — CID 118708822

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-4-(4-chlorophenyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)c1cc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc(C(F)(F)F)c1
InChIInChI=1S/C17H9ClF6N2S/c18-12-3-1-9(2-4-12)14-8-27-15(26-14)25-13-6-10(16(19,20)21)5-11(7-13)17(22,23)24/h1-8H,(H,25,26)
InChIKeyHSDNRFQMIDTVEG-UHFFFAOYSA-N
MW422.78 g/mol
LogP7.24
Rot. Bonds3

About N-[3,5-bis(trifluoromethyl)phenyl]-4-(4-chlorophenyl)-1,3-thiazol-2-amine

N-[3,5-bis(trifluoromethyl)phenyl]-4-(4-chlorophenyl)-1,3-thiazol-2-amine (PubChem CID 118708822) has the molecular formula C17H9ClF6N2S and a molecular weight of 422.78 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-4-(4-chlorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-4-(4-chlorophenyl)-1,3-thiazol-2-amine
PubChem CID118708822
Molecular FormulaC17H9ClF6N2S
Molecular Weight422.78 g/mol
Exact Mass422.01
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-4-(4-chlorophenyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)c1cc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc(C(F)(F)F)c1
InChIInChI=1S/C17H9ClF6N2S/c18-12-3-1-9(2-4-12)14-8-27-15(26-14)25-13-6-10(16(19,20)21)5-11(7-13)17(22,23)24/h1-8H,(H,25,26)
InChIKeyHSDNRFQMIDTVEG-UHFFFAOYSA-N
XLogP7.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.78
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dichlorophenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 18507812
N-[3,5-bis(trifluoromethyl)phenyl]-4-naphthalen-2-yl-1,3-thiazol-2-amine
CID 2803721
4-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
CID 4149421
N-(4-chlorophenyl)-4-(4-iodophenyl)-1,3-thiazol-2-amine
CID 2193688
4-(4-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;hydrobromide
CID 44789502
N-(4-bromophenyl)-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 3551547
3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol
CID 877802
4-(4-chlorophenyl)-N-(6-chloro-3-pyridinyl)-1,3-thiazol-2-amine
CID 166340316
N-[3,5-bis(trifluoromethyl)phenyl]-4-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazol-2-amine
CID 2745643
4-naphthalen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 2249396
[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]methanol
CID 118713961
3-chloro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]benzonitrile
CID 156506524

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-4-(4-chlorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-4-(4-chlorophenyl)-1,3-thiazol-2-amine (CID 118708822) is N-[3,5-bis(trifluoromethyl)phenyl]-4-(4-chlorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-4-(4-chlorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-4-(4-chlorophenyl)-1,3-thiazol-2-amine is FC(F)(F)c1cc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-4-(4-chlorophenyl)-1,3-thiazol-2-amine?
The InChIKey is HSDNRFQMIDTVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClF6N2S/c18-12-3-1-9(2-4-12)14-8-27-15(26-14)25-13-6-10(16(19,20)21)5-11(7-13)17(22,23)24/h1-8H,(H,25,26).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-4-(4-chlorophenyl)-1,3-thiazol-2-amine?
N-[3,5-bis(trifluoromethyl)phenyl]-4-(4-chlorophenyl)-1,3-thiazol-2-amine has a molecular weight of 422.78 g/mol, XLogP of 7.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-4-(4-chlorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 118708822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).