N-(2,5-difluoro-4-methylphenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine

C14H18F2N2S — CID 106166788

IUPACN-(2,5-difluoro-4-methylphenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(C)CCSC(Nc2cc(F)c(C)cc2F)=N1
InChIInChI=1S/C14H18F2N2S/c1-4-14(3)5-6-19-13(18-14)17-12-8-10(15)9(2)7-11(12)16/h7-8H,4-6H2,1-3H3,(H,17,18)
InChIKeyQHRSDFQSXMGEOR-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.35
Rot. Bonds2

About N-(2,5-difluoro-4-methylphenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine

N-(2,5-difluoro-4-methylphenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine (PubChem CID 106166788) has the molecular formula C14H18F2N2S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(2,5-difluoro-4-methylphenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(2,5-difluoro-4-methylphenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
PubChem CID106166788
Molecular FormulaC14H18F2N2S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-(2,5-difluoro-4-methylphenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(C)CCSC(Nc2cc(F)c(C)cc2F)=N1
InChIInChI=1S/C14H18F2N2S/c1-4-14(3)5-6-19-13(18-14)17-12-8-10(15)9(2)7-11(12)16/h7-8H,4-6H2,1-3H3,(H,17,18)
InChIKeyQHRSDFQSXMGEOR-UHFFFAOYSA-N
XLogP4.35
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluoro-4-methylphenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of N-(2,5-difluoro-4-methylphenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine (CID 106166788) is N-(2,5-difluoro-4-methylphenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for N-(2,5-difluoro-4-methylphenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for N-(2,5-difluoro-4-methylphenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine is CCC1(C)CCSC(Nc2cc(F)c(C)cc2F)=N1.
What is the InChIKey of N-(2,5-difluoro-4-methylphenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is QHRSDFQSXMGEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2S/c1-4-14(3)5-6-19-13(18-14)17-12-8-10(15)9(2)7-11(12)16/h7-8H,4-6H2,1-3H3,(H,17,18).
What are the key properties of N-(2,5-difluoro-4-methylphenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
N-(2,5-difluoro-4-methylphenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 284.38 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluoro-4-methylphenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 106166788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).