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

C11H11F3N2OS — CID 2732853

IUPACN-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESFC(F)(F)Oc1ccc(NC2=NCCCS2)cc1
InChIInChI=1S/C11H11F3N2OS/c12-11(13,14)17-9-4-2-8(3-5-9)16-10-15-6-1-7-18-10/h2-5H,1,6-7H2,(H,15,16)
InChIKeyYTOWAXTZYXYDHE-UHFFFAOYSA-N
MW276.28 g/mol
LogP3.49
Rot. Bonds2

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

N-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 2732853) has the molecular formula C11H11F3N2OS and a molecular weight of 276.28 g/mol. Its IUPAC name is N-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID2732853
Molecular FormulaC11H11F3N2OS
Molecular Weight276.28 g/mol
Exact Mass276.05
IUPAC NameN-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESFC(F)(F)Oc1ccc(NC2=NCCCS2)cc1
InChIInChI=1S/C11H11F3N2OS/c12-11(13,14)17-9-4-2-8(3-5-9)16-10-15-6-1-7-18-10/h2-5H,1,6-7H2,(H,15,16)
InChIKeyYTOWAXTZYXYDHE-UHFFFAOYSA-N
XLogP3.49
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-Dihydro-N-(4-methoxyphenyl)-5-methyl-2-thiazolamine
CID 613778
N-(4-Ethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2345498
2-(P-Anisidino)-2-thiazoline
CID 291787
(5,6-Dihydro-4H-[1,3]thiazin-2-yl)-(3-methoxy-phenyl)-amine
CID 3228495
2-Ethyl-1-(4-methoxy-phenyl)-isothiourea; hydriodide
CID 8775930
1-[4-(Trifluoromethoxy)phenyl]-2-ethylisothiourea
CID 10825489
ethyl N'-[4-(trifluoromethoxy)phenyl]carbamimidothioate;hydrochloride
CID 21697829
[2-[(4-Methoxyphenyl)imino]-4-methyl-1,3-thiazolan-4-yl]methanol
CID 330535
5-{[4-(Trifluoromethoxy)phenyl]amino}-1,3,4-thiadiazole-2-thiol
CID 2732843
2-[(8-oxo-5,6,7,8-tetrahydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)thio]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 4391395
4,5-Dihydro-N-(4-methoxyphenyl)-4,4-dimethyl-2-thiazolamine
CID 2346398
N-(3,4-dimethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2346409

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 2732853) is N-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is FC(F)(F)Oc1ccc(NC2=NCCCS2)cc1.
What is the InChIKey of N-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is YTOWAXTZYXYDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2OS/c12-11(13,14)17-9-4-2-8(3-5-9)16-10-15-6-1-7-18-10/h2-5H,1,6-7H2,(H,15,16).
What are the key properties of N-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 276.28 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 2732853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).