N-(4-fluoro-2-methoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine

C12H15FN2OS — CID 83187825

IUPACN-(4-fluoro-2-methoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCOc1cc(F)ccc1NC1=NC(C)CCS1
InChIInChI=1S/C12H15FN2OS/c1-8-5-6-17-12(14-8)15-10-4-3-9(13)7-11(10)16-2/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)
InChIKeyCTWUSVFWERMAHF-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.13
Rot. Bonds2

About N-(4-fluoro-2-methoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine

N-(4-fluoro-2-methoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 83187825) has the molecular formula C12H15FN2OS and a molecular weight of 254.33 g/mol. Its IUPAC name is N-(4-fluoro-2-methoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(4-fluoro-2-methoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID83187825
Molecular FormulaC12H15FN2OS
Molecular Weight254.33 g/mol
Exact Mass254.09
IUPAC NameN-(4-fluoro-2-methoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCOc1cc(F)ccc1NC1=NC(C)CCS1
InChIInChI=1S/C12H15FN2OS/c1-8-5-6-17-12(14-8)15-10-4-3-9(13)7-11(10)16-2/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)
InChIKeyCTWUSVFWERMAHF-UHFFFAOYSA-N
XLogP3.13
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83186722
N-[4-bromo-2-(trifluoromethoxy)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 103193509
4-methyl-N-(2-phenoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83179343
N-(4-fluoro-2-methoxyphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
CID 62516977
N-(2-bromo-4-fluorophenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43440061
N-(4-fluoro-2-methoxyphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 106298265
N-(5-fluoro-2-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 114177135
N-(3,4-diethoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83186568
N-(4-chlorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83187370
N-(3-ethoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83187669
N-(5-chloro-2-methoxyphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43439866
4-tert-butyl-N-(2,5-dimethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351205

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(4-fluoro-2-methoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 83187825) is N-(4-fluoro-2-methoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(4-fluoro-2-methoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(4-fluoro-2-methoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is COc1cc(F)ccc1NC1=NC(C)CCS1.
What is the InChIKey of N-(4-fluoro-2-methoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is CTWUSVFWERMAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2OS/c1-8-5-6-17-12(14-8)15-10-4-3-9(13)7-11(10)16-2/h3-4,7-8H,5-6H2,1-2H3,(H,14,15).
What are the key properties of N-(4-fluoro-2-methoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(4-fluoro-2-methoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 254.33 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 83187825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).