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

C21H12F6N2S — CID 2803721

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-4-naphthalen-2-yl-1,3-thiazol-2-amine
SMILESFC(F)(F)c1cc(Nc2nc(-c3ccc4ccccc4c3)cs2)cc(C(F)(F)F)c1
InChIInChI=1S/C21H12F6N2S/c22-20(23,24)15-8-16(21(25,26)27)10-17(9-15)28-19-29-18(11-30-19)14-6-5-12-3-1-2-4-13(12)7-14/h1-11H,(H,28,29)
InChIKeyBDVAHSBJPVLSLK-UHFFFAOYSA-N
MW438.40 g/mol
LogP7.74
Rot. Bonds3

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

N-[3,5-bis(trifluoromethyl)phenyl]-4-naphthalen-2-yl-1,3-thiazol-2-amine (PubChem CID 2803721) has the molecular formula C21H12F6N2S and a molecular weight of 438.40 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-4-naphthalen-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-4-naphthalen-2-yl-1,3-thiazol-2-amine
PubChem CID2803721
Molecular FormulaC21H12F6N2S
Molecular Weight438.40 g/mol
Exact Mass438.06
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-4-naphthalen-2-yl-1,3-thiazol-2-amine
SMILESFC(F)(F)c1cc(Nc2nc(-c3ccc4ccccc4c3)cs2)cc(C(F)(F)F)c1
InChIInChI=1S/C21H12F6N2S/c22-20(23,24)15-8-16(21(25,26)27)10-17(9-15)28-19-29-18(11-30-19)14-6-5-12-3-1-2-4-13(12)7-14/h1-11H,(H,28,29)
InChIKeyBDVAHSBJPVLSLK-UHFFFAOYSA-N
XLogP7.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.40
LogP ≤ 57.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-naphthalen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 2249396
N-[3,5-bis(trifluoromethyl)phenyl]-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 118708822
4-naphthalen-2-yl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
CID 5062671
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 7917212
N-(3,5-dichlorophenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 18507812
4-(4-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;hydrobromide
CID 44789502
N-(4,6-dimethylpyrimidin-2-yl)-4-naphthalen-2-yl-1,3-thiazol-2-amine
CID 108774081
N-[3-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 84564819
4-naphthalen-2-yl-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine
CID 58911073
N-(2,4-dimethylphenyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine
CID 2132345
N-[3,5-bis(trifluoromethyl)phenyl]-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 58911134
4-[3-(dimethylamino)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 156517729

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-4-naphthalen-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-4-naphthalen-2-yl-1,3-thiazol-2-amine (CID 2803721) is N-[3,5-bis(trifluoromethyl)phenyl]-4-naphthalen-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-4-naphthalen-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-4-naphthalen-2-yl-1,3-thiazol-2-amine is FC(F)(F)c1cc(Nc2nc(-c3ccc4ccccc4c3)cs2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-4-naphthalen-2-yl-1,3-thiazol-2-amine?
The InChIKey is BDVAHSBJPVLSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F6N2S/c22-20(23,24)15-8-16(21(25,26)27)10-17(9-15)28-19-29-18(11-30-19)14-6-5-12-3-1-2-4-13(12)7-14/h1-11H,(H,28,29).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-4-naphthalen-2-yl-1,3-thiazol-2-amine?
N-[3,5-bis(trifluoromethyl)phenyl]-4-naphthalen-2-yl-1,3-thiazol-2-amine has a molecular weight of 438.40 g/mol, XLogP of 7.74, 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-naphthalen-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 2803721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).