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

C14H19FN2S — CID 106165078

IUPAC4-ethyl-N-(5-fluoro-2-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(C)CCSC(Nc2cc(F)ccc2C)=N1
InChIInChI=1S/C14H19FN2S/c1-4-14(3)7-8-18-13(17-14)16-12-9-11(15)6-5-10(12)2/h5-6,9H,4,7-8H2,1-3H3,(H,16,17)
InChIKeyPPUIZLNUFVNFAR-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.21
Rot. Bonds2

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

4-ethyl-N-(5-fluoro-2-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine (PubChem CID 106165078) has the molecular formula C14H19FN2S and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-ethyl-N-(5-fluoro-2-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name4-ethyl-N-(5-fluoro-2-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
PubChem CID106165078
Molecular FormulaC14H19FN2S
Molecular Weight266.38 g/mol
Exact Mass266.13
IUPAC Name4-ethyl-N-(5-fluoro-2-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(C)CCSC(Nc2cc(F)ccc2C)=N1
InChIInChI=1S/C14H19FN2S/c1-4-14(3)7-8-18-13(17-14)16-12-9-11(15)6-5-10(12)2/h5-6,9H,4,7-8H2,1-3H3,(H,16,17)
InChIKeyPPUIZLNUFVNFAR-UHFFFAOYSA-N
XLogP4.21
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(5-fluoro-2-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of 4-ethyl-N-(5-fluoro-2-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine (CID 106165078) is 4-ethyl-N-(5-fluoro-2-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for 4-ethyl-N-(5-fluoro-2-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for 4-ethyl-N-(5-fluoro-2-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine is CCC1(C)CCSC(Nc2cc(F)ccc2C)=N1.
What is the InChIKey of 4-ethyl-N-(5-fluoro-2-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is PPUIZLNUFVNFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2S/c1-4-14(3)7-8-18-13(17-14)16-12-9-11(15)6-5-10(12)2/h5-6,9H,4,7-8H2,1-3H3,(H,16,17).
What are the key properties of 4-ethyl-N-(5-fluoro-2-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
4-ethyl-N-(5-fluoro-2-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 266.38 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(5-fluoro-2-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 106165078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).