N-(4-methylphenyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine

C15H11F3N2S — CID 43247454

IUPACN-(4-methylphenyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
SMILESCc1ccc(Nc2nc3cc(C(F)(F)F)ccc3s2)cc1
InChIInChI=1S/C15H11F3N2S/c1-9-2-5-11(6-3-9)19-14-20-12-8-10(15(16,17)18)4-7-13(12)21-14/h2-8H,1H3,(H,19,20)
InChIKeyCYRAVAAKEJDYTH-UHFFFAOYSA-N
MW308.33 g/mol
LogP5.37
Rot. Bonds2

About N-(4-methylphenyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine

N-(4-methylphenyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine (PubChem CID 43247454) has the molecular formula C15H11F3N2S and a molecular weight of 308.33 g/mol. Its IUPAC name is N-(4-methylphenyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
PubChem CID43247454
Molecular FormulaC15H11F3N2S
Molecular Weight308.33 g/mol
Exact Mass308.06
IUPAC NameN-(4-methylphenyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
SMILESCc1ccc(Nc2nc3cc(C(F)(F)F)ccc3s2)cc1
InChIInChI=1S/C15H11F3N2S/c1-9-2-5-11(6-3-9)19-14-20-12-8-10(15(16,17)18)4-7-13(12)21-14/h2-8H,1H3,(H,19,20)
InChIKeyCYRAVAAKEJDYTH-UHFFFAOYSA-N
XLogP5.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.33
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-N-(4-methylphenyl)-1,3-benzothiazol-2-amine
CID 12955114
N-(4-tert-butylphenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79127962
5-fluoro-N-[3-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine
CID 43306595
N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 43247444
N-(2-methylbutyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 63547160
N',N'-dimethyl-N-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethane-1,2-diamine
CID 43247437
N-(2,3-dimethylbutyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 64596986
N-(1,5-dimethylbenzimidazol-2-yl)-6-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 134445468
N-(2-methyl-3-methylsulfanylpropyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 63958665
4-methyl-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]aniline
CID 43247361
3-methyl-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]butanamide
CID 103801562
N-(1-chloroazetidin-3-yl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 140893601

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-(4-methylphenyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine (CID 43247454) is N-(4-methylphenyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(4-methylphenyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(4-methylphenyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine is Cc1ccc(Nc2nc3cc(C(F)(F)F)ccc3s2)cc1.
What is the InChIKey of N-(4-methylphenyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine?
The InChIKey is CYRAVAAKEJDYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2S/c1-9-2-5-11(6-3-9)19-14-20-12-8-10(15(16,17)18)4-7-13(12)21-14/h2-8H,1H3,(H,19,20).
What are the key properties of N-(4-methylphenyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine?
N-(4-methylphenyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine has a molecular weight of 308.33 g/mol, XLogP of 5.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 43247454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).