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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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).