N-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine

C19H13F3N2S — CID 174918233

IUPACN-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
SMILESFC(F)(F)c1ccc2sc(NCc3cccc4ccccc34)nc2c1
InChIInChI=1S/C19H13F3N2S/c20-19(21,22)14-8-9-17-16(10-14)24-18(25-17)23-11-13-6-3-5-12-4-1-2-7-15(12)13/h1-10H,11H2,(H,23,24)
InChIKeyYPKHYDCOWOEADH-UHFFFAOYSA-N
MW358.39 g/mol
LogP6.08
Rot. Bonds3

About N-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine

N-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine (PubChem CID 174918233) has the molecular formula C19H13F3N2S and a molecular weight of 358.39 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
PubChem CID174918233
Molecular FormulaC19H13F3N2S
Molecular Weight358.39 g/mol
Exact Mass358.08
IUPAC NameN-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
SMILESFC(F)(F)c1ccc2sc(NCc3cccc4ccccc34)nc2c1
InChIInChI=1S/C19H13F3N2S/c20-19(21,22)14-8-9-17-16(10-14)24-18(25-17)23-11-13-6-3-5-12-4-1-2-7-15(12)13/h1-10H,11H2,(H,23,24)
InChIKeyYPKHYDCOWOEADH-UHFFFAOYSA-N
XLogP6.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.39
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 43247444
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-(2-methylbutyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 63547160
N-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]aniline
CID 60835722
methyl 2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]acetate
CID 43135001
N-(2-methyl-3-methylsulfanylpropyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 63958665
4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]butanamide
CID 60864153
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 133318037
1-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]pentan-2-ol
CID 133342940
N-[(3-methylcyclopentyl)methyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 107414302
3-[2-[[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]methyl]-1H-imidazol-5-yl]benzonitrile
CID 75398496

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine (CID 174918233) is N-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine is FC(F)(F)c1ccc2sc(NCc3cccc4ccccc34)nc2c1.
What is the InChIKey of N-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine?
The InChIKey is YPKHYDCOWOEADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2S/c20-19(21,22)14-8-9-17-16(10-14)24-18(25-17)23-11-13-6-3-5-12-4-1-2-7-15(12)13/h1-10H,11H2,(H,23,24).
What are the key properties of N-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine?
N-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine has a molecular weight of 358.39 g/mol, XLogP of 6.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 174918233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).