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

C10H6F6N2S — CID 43247444

IUPACN-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
SMILESFC(F)(F)CNc1nc2cc(C(F)(F)F)ccc2s1
InChIInChI=1S/C10H6F6N2S/c11-9(12,13)4-17-8-18-6-3-5(10(14,15)16)1-2-7(6)19-8/h1-3H,4H2,(H,17,18)
InChIKeyFLPDQRIKFKHVLF-UHFFFAOYSA-N
MW300.23 g/mol
LogP4.29
Rot. Bonds2

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

N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine (PubChem CID 43247444) has the molecular formula C10H6F6N2S and a molecular weight of 300.23 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
PubChem CID43247444
Molecular FormulaC10H6F6N2S
Molecular Weight300.23 g/mol
Exact Mass300.02
IUPAC NameN-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
SMILESFC(F)(F)CNc1nc2cc(C(F)(F)F)ccc2s1
InChIInChI=1S/C10H6F6N2S/c11-9(12,13)4-17-8-18-6-3-5(10(14,15)16)1-2-7(6)19-8/h1-3H,4H2,(H,17,18)
InChIKeyFLPDQRIKFKHVLF-UHFFFAOYSA-N
XLogP4.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine (CID 43247444) is N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine is FC(F)(F)CNc1nc2cc(C(F)(F)F)ccc2s1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine?
The InChIKey is FLPDQRIKFKHVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F6N2S/c11-9(12,13)4-17-8-18-6-3-5(10(14,15)16)1-2-7(6)19-8/h1-3H,4H2,(H,17,18).
What are the key properties of N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine?
N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine has a molecular weight of 300.23 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 43247444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).