N-[2-(trifluoromethyl)cyclohexyl]-1,3-benzothiazol-6-amine

C14H15F3N2S — CID 107804070

IUPACN-[2-(trifluoromethyl)cyclohexyl]-1,3-benzothiazol-6-amine
SMILESFC(F)(F)C1CCCCC1Nc1ccc2ncsc2c1
InChIInChI=1S/C14H15F3N2S/c15-14(16,17)10-3-1-2-4-11(10)19-9-5-6-12-13(7-9)20-8-18-12/h5-8,10-11,19H,1-4H2
InChIKeyGBMDUTJOBZCGAS-UHFFFAOYSA-N
MW300.35 g/mol
LogP4.83
Rot. Bonds2

About N-[2-(trifluoromethyl)cyclohexyl]-1,3-benzothiazol-6-amine

N-[2-(trifluoromethyl)cyclohexyl]-1,3-benzothiazol-6-amine (PubChem CID 107804070) has the molecular formula C14H15F3N2S and a molecular weight of 300.35 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)cyclohexyl]-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)cyclohexyl]-1,3-benzothiazol-6-amine
PubChem CID107804070
Molecular FormulaC14H15F3N2S
Molecular Weight300.35 g/mol
Exact Mass300.09
IUPAC NameN-[2-(trifluoromethyl)cyclohexyl]-1,3-benzothiazol-6-amine
SMILESFC(F)(F)C1CCCCC1Nc1ccc2ncsc2c1
InChIInChI=1S/C14H15F3N2S/c15-14(16,17)10-3-1-2-4-11(10)19-9-5-6-12-13(7-9)20-8-18-12/h5-8,10-11,19H,1-4H2
InChIKeyGBMDUTJOBZCGAS-UHFFFAOYSA-N
XLogP4.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)cyclohexyl]-1,3-benzothiazol-6-amine?
The IUPAC name of N-[2-(trifluoromethyl)cyclohexyl]-1,3-benzothiazol-6-amine (CID 107804070) is N-[2-(trifluoromethyl)cyclohexyl]-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-[2-(trifluoromethyl)cyclohexyl]-1,3-benzothiazol-6-amine?
The canonical SMILES for N-[2-(trifluoromethyl)cyclohexyl]-1,3-benzothiazol-6-amine is FC(F)(F)C1CCCCC1Nc1ccc2ncsc2c1.
What is the InChIKey of N-[2-(trifluoromethyl)cyclohexyl]-1,3-benzothiazol-6-amine?
The InChIKey is GBMDUTJOBZCGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2S/c15-14(16,17)10-3-1-2-4-11(10)19-9-5-6-12-13(7-9)20-8-18-12/h5-8,10-11,19H,1-4H2.
What are the key properties of N-[2-(trifluoromethyl)cyclohexyl]-1,3-benzothiazol-6-amine?
N-[2-(trifluoromethyl)cyclohexyl]-1,3-benzothiazol-6-amine has a molecular weight of 300.35 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)cyclohexyl]-1,3-benzothiazol-6-amine is sourced from PubChem (CID 107804070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).