3-(2,3-difluorophenyl)-6,6-dimethyl-2,3-dihydro-1,4-thiazin-5-amine

C12H14F2N2S — CID 126633706

IUPAC3-(2,3-difluorophenyl)-6,6-dimethyl-2,3-dihydro-1,4-thiazin-5-amine
SMILESCC1(C)SCC(c2cccc(F)c2F)N=C1N
InChIInChI=1S/C12H14F2N2S/c1-12(2)11(15)16-9(6-17-12)7-4-3-5-8(13)10(7)14/h3-5,9H,6H2,1-2H3,(H2,15,16)
InChIKeyJZUCMGXETBMLDP-UHFFFAOYSA-N
MW256.32 g/mol
LogP2.89
Rot. Bonds1

About 3-(2,3-difluorophenyl)-6,6-dimethyl-2,3-dihydro-1,4-thiazin-5-amine

3-(2,3-difluorophenyl)-6,6-dimethyl-2,3-dihydro-1,4-thiazin-5-amine (PubChem CID 126633706) has the molecular formula C12H14F2N2S and a molecular weight of 256.32 g/mol. Its IUPAC name is 3-(2,3-difluorophenyl)-6,6-dimethyl-2,3-dihydro-1,4-thiazin-5-amine.

Molecular Properties

Compound Name3-(2,3-difluorophenyl)-6,6-dimethyl-2,3-dihydro-1,4-thiazin-5-amine
PubChem CID126633706
Molecular FormulaC12H14F2N2S
Molecular Weight256.32 g/mol
Exact Mass256.08
IUPAC Name3-(2,3-difluorophenyl)-6,6-dimethyl-2,3-dihydro-1,4-thiazin-5-amine
SMILESCC1(C)SCC(c2cccc(F)c2F)N=C1N
InChIInChI=1S/C12H14F2N2S/c1-12(2)11(15)16-9(6-17-12)7-4-3-5-8(13)10(7)14/h3-5,9H,6H2,1-2H3,(H2,15,16)
InChIKeyJZUCMGXETBMLDP-UHFFFAOYSA-N
XLogP2.89
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(2,3-difluorophenyl)-1,4-dihydroimidazol-5-one
CID 82996873
5-(2,3-difluorophenyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 79510039
(4S)-4-(3-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine;hydrochloride
CID 146018955
5-ethyl-2-(2-fluorophenyl)-5-methylsulfanyl-3,4-dihydro-2H-pyridin-6-amine;fluoromethane
CID 145279661
8-fluoro-3,3-dimethyl-1,4-dihydroisothiochromen-4-ol
CID 82885868
2-[5-(5-amino-6,6-dimethyl-2,3-dihydro-1,4-thiazin-3-yl)-4-chlorothiophen-2-yl]-5-fluoro-3H-isoindol-1-one
CID 126634032
3-(2,3-difluorophenyl)-2-methylcyclopentan-1-ol
CID 64908800
(4S)-4-(3-fluoro-2-methylphenyl)-2-methyl-4,5-dihydro-1,3-oxazole
CID 158585991
4-[(2,3-difluorophenyl)methyl]thiolan-3-amine
CID 83196495
4-(2,3-difluorophenyl)-1-methylpiperidine
CID 57438792
1-cyclopropyl-5-(2,3-difluorophenyl)-4,5-dihydroimidazol-2-amine
CID 79509654
3,3-difluoro-2-(2-fluorophenyl)-5-methyl-5-methylsulfonyl-2,4-dihydropyridin-6-amine
CID 126733915

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluorophenyl)-6,6-dimethyl-2,3-dihydro-1,4-thiazin-5-amine?
The IUPAC name of 3-(2,3-difluorophenyl)-6,6-dimethyl-2,3-dihydro-1,4-thiazin-5-amine (CID 126633706) is 3-(2,3-difluorophenyl)-6,6-dimethyl-2,3-dihydro-1,4-thiazin-5-amine.
What is the SMILES notation for 3-(2,3-difluorophenyl)-6,6-dimethyl-2,3-dihydro-1,4-thiazin-5-amine?
The canonical SMILES for 3-(2,3-difluorophenyl)-6,6-dimethyl-2,3-dihydro-1,4-thiazin-5-amine is CC1(C)SCC(c2cccc(F)c2F)N=C1N.
What is the InChIKey of 3-(2,3-difluorophenyl)-6,6-dimethyl-2,3-dihydro-1,4-thiazin-5-amine?
The InChIKey is JZUCMGXETBMLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2S/c1-12(2)11(15)16-9(6-17-12)7-4-3-5-8(13)10(7)14/h3-5,9H,6H2,1-2H3,(H2,15,16).
What are the key properties of 3-(2,3-difluorophenyl)-6,6-dimethyl-2,3-dihydro-1,4-thiazin-5-amine?
3-(2,3-difluorophenyl)-6,6-dimethyl-2,3-dihydro-1,4-thiazin-5-amine has a molecular weight of 256.32 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluorophenyl)-6,6-dimethyl-2,3-dihydro-1,4-thiazin-5-amine is sourced from PubChem (CID 126633706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).