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

C20H13F3N2S — CID 2249396

IUPAC4-naphthalen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1cccc(Nc2nc(-c3ccc4ccccc4c3)cs2)c1
InChIInChI=1S/C20H13F3N2S/c21-20(22,23)16-6-3-7-17(11-16)24-19-25-18(12-26-19)15-9-8-13-4-1-2-5-14(13)10-15/h1-12H,(H,24,25)
InChIKeyUUHOHOIBFVLLPP-UHFFFAOYSA-N
MW370.40 g/mol
LogP6.73
Rot. Bonds3

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

4-naphthalen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 2249396) has the molecular formula C20H13F3N2S and a molecular weight of 370.40 g/mol. Its IUPAC name is 4-naphthalen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-naphthalen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID2249396
Molecular FormulaC20H13F3N2S
Molecular Weight370.40 g/mol
Exact Mass370.08
IUPAC Name4-naphthalen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1cccc(Nc2nc(-c3ccc4ccccc4c3)cs2)c1
InChIInChI=1S/C20H13F3N2S/c21-20(22,23)16-6-3-7-17(11-16)24-19-25-18(12-26-19)15-9-8-13-4-1-2-5-14(13)10-15/h1-12H,(H,24,25)
InChIKeyUUHOHOIBFVLLPP-UHFFFAOYSA-N
XLogP6.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.40
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]-4-naphthalen-2-yl-1,3-thiazol-2-amine
CID 2803721
4-(4-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;hydrobromide
CID 44789502
4-[3-(dimethylamino)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 156517729
4-(1-oxidopyridin-1-ium-4-yl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 162457285
ethane;3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]benzoic acid
CID 156795689
4-naphthalen-2-yl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
CID 5062671
4-(1H-inden-5-yl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 159049155
N-[3-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 84564819
1-oxido-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridin-1-ium-3-carboxamide
CID 156517790
carbanide;ethane;iron;4-(3-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 156795672
3-chloro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]benzonitrile
CID 156506524
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 7917212

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-naphthalen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 2249396) is 4-naphthalen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-naphthalen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-naphthalen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is FC(F)(F)c1cccc(Nc2nc(-c3ccc4ccccc4c3)cs2)c1.
What is the InChIKey of 4-naphthalen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is UUHOHOIBFVLLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N2S/c21-20(22,23)16-6-3-7-17(11-16)24-19-25-18(12-26-19)15-9-8-13-4-1-2-5-14(13)10-15/h1-12H,(H,24,25).
What are the key properties of 4-naphthalen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
4-naphthalen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 370.40 g/mol, XLogP of 6.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 2249396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).