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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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).