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

C20H13F3N2OS — CID 5062671

IUPAC4-naphthalen-2-yl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)Oc1ccc(Nc2nc(-c3ccc4ccccc4c3)cs2)cc1
InChIInChI=1S/C20H13F3N2OS/c21-20(22,23)26-17-9-7-16(8-10-17)24-19-25-18(12-27-19)15-6-5-13-3-1-2-4-14(13)11-15/h1-12H,(H,24,25)
InChIKeyVQBHSRRAIOPEQD-UHFFFAOYSA-N
MW386.40 g/mol
LogP6.61
Rot. Bonds4

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

4-naphthalen-2-yl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine (PubChem CID 5062671) has the molecular formula C20H13F3N2OS and a molecular weight of 386.40 g/mol. Its IUPAC name is 4-naphthalen-2-yl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-naphthalen-2-yl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
PubChem CID5062671
Molecular FormulaC20H13F3N2OS
Molecular Weight386.40 g/mol
Exact Mass386.07
IUPAC Name4-naphthalen-2-yl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)Oc1ccc(Nc2nc(-c3ccc4ccccc4c3)cs2)cc1
InChIInChI=1S/C20H13F3N2OS/c21-20(22,23)26-17-9-7-16(8-10-17)24-19-25-18(12-27-19)15-6-5-13-3-1-2-4-14(13)11-15/h1-12H,(H,24,25)
InChIKeyVQBHSRRAIOPEQD-UHFFFAOYSA-N
XLogP6.61
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.40
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
CID 4149421
N-[3,5-bis(trifluoromethyl)phenyl]-4-naphthalen-2-yl-1,3-thiazol-2-amine
CID 2803721
4-naphthalen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 2249396
N-pyridin-2-yl-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
CID 122499786
1-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine
CID 58911003
4-(4-fluoro-3-methylphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine
CID 5230087
N-(4,6-dimethylpyrimidin-2-yl)-4-naphthalen-2-yl-1,3-thiazol-2-amine
CID 108774081
4-(4-fluorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2858168
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
4-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2877323
4-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 4093037

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-naphthalen-2-yl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine (CID 5062671) is 4-naphthalen-2-yl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-naphthalen-2-yl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-naphthalen-2-yl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine is FC(F)(F)Oc1ccc(Nc2nc(-c3ccc4ccccc4c3)cs2)cc1.
What is the InChIKey of 4-naphthalen-2-yl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine?
The InChIKey is VQBHSRRAIOPEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N2OS/c21-20(22,23)26-17-9-7-16(8-10-17)24-19-25-18(12-27-19)15-6-5-13-3-1-2-4-14(13)11-15/h1-12H,(H,24,25).
What are the key properties of 4-naphthalen-2-yl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine?
4-naphthalen-2-yl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine has a molecular weight of 386.40 g/mol, XLogP of 6.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 5062671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).