N-[2-chloro-6-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine

C11H10ClF3N2S — CID 29067996

IUPACN-[2-chloro-6-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESFC(F)(F)c1cccc(Cl)c1NC1=NCCCS1
InChIInChI=1S/C11H10ClF3N2S/c12-8-4-1-3-7(11(13,14)15)9(8)17-10-16-5-2-6-18-10/h1,3-4H,2,5-6H2,(H,16,17)
InChIKeyCSIUZSDYRAIPMU-UHFFFAOYSA-N
MW294.73 g/mol
LogP4.26
Rot. Bonds1

About N-[2-chloro-6-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine

N-[2-chloro-6-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 29067996) has the molecular formula C11H10ClF3N2S and a molecular weight of 294.73 g/mol. Its IUPAC name is N-[2-chloro-6-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-[2-chloro-6-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID29067996
Molecular FormulaC11H10ClF3N2S
Molecular Weight294.73 g/mol
Exact Mass294.02
IUPAC NameN-[2-chloro-6-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESFC(F)(F)c1cccc(Cl)c1NC1=NCCCS1
InChIInChI=1S/C11H10ClF3N2S/c12-8-4-1-3-7(11(13,14)15)9(8)17-10-16-5-2-6-18-10/h1,3-4H,2,5-6H2,(H,16,17)
InChIKeyCSIUZSDYRAIPMU-UHFFFAOYSA-N
XLogP4.26
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.73
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 29067996) is N-[2-chloro-6-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-[2-chloro-6-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-[2-chloro-6-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is FC(F)(F)c1cccc(Cl)c1NC1=NCCCS1.
What is the InChIKey of N-[2-chloro-6-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is CSIUZSDYRAIPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N2S/c12-8-4-1-3-7(11(13,14)15)9(8)17-10-16-5-2-6-18-10/h1,3-4H,2,5-6H2,(H,16,17).
What are the key properties of N-[2-chloro-6-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-[2-chloro-6-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 294.73 g/mol, XLogP of 4.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-6-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 29067996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).