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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Related Compounds

N-(2-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2378238
N-[2-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2446698
m-Toluidine, 6-chloro-alpha,alpha,alpha-trifluoro-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-
CID 297485
N-(4-chloro-2-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2865536
N-[2-chloro-5-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 297738
N-(2,6-Dichlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 614555
Isothiourea, 1-(2-chloro-6-methylphenyl)-2-methyl-3-(1,1-dimethyl-2-propynyl)-
CID 622217
N-[2-chloro-5-(trifluoromethyl)phenyl]-4H-3,1-benzothiazin-2-amine
CID 4852845
N-[2-chloro-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine;hydrochloride
CID 24194506
N-(4-Chloro-2-methylphenyl)-4,5-dihydro-2-thiazolamine
CID 14033151
1-[2-Chloro-6-(trifluoromethyl)phenyl]-3-(4,5-dihydro-1,3-thiazol-2-yl)urea
CID 54151757
1-[2-Chloro-6-(trifluoromethyl)phenyl]-3-(3-ethyl-1,3-thiazolidin-2-ylidene)urea
CID 54190815

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).