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

C12H15FN2S — CID 58057553

IUPAC4-(3-fluoro-4-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESCc1ccc(C2(C)CCSC(N)=N2)cc1F
InChIInChI=1S/C12H15FN2S/c1-8-3-4-9(7-10(8)13)12(2)5-6-16-11(14)15-12/h3-4,7H,5-6H2,1-2H3,(H2,14,15)
InChIKeyZXMBWEHDRAYXCH-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.80
Rot. Bonds1

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

4-(3-fluoro-4-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine (PubChem CID 58057553) has the molecular formula C12H15FN2S and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-(3-fluoro-4-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name4-(3-fluoro-4-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
PubChem CID58057553
Molecular FormulaC12H15FN2S
Molecular Weight238.33 g/mol
Exact Mass238.09
IUPAC Name4-(3-fluoro-4-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESCc1ccc(C2(C)CCSC(N)=N2)cc1F
InChIInChI=1S/C12H15FN2S/c1-8-3-4-9(7-10(8)13)12(2)5-6-16-11(14)15-12/h3-4,7H,5-6H2,1-2H3,(H2,14,15)
InChIKeyZXMBWEHDRAYXCH-UHFFFAOYSA-N
XLogP2.80
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of 4-(3-fluoro-4-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine (CID 58057553) is 4-(3-fluoro-4-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for 4-(3-fluoro-4-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for 4-(3-fluoro-4-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine is Cc1ccc(C2(C)CCSC(N)=N2)cc1F.
What is the InChIKey of 4-(3-fluoro-4-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is ZXMBWEHDRAYXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2S/c1-8-3-4-9(7-10(8)13)12(2)5-6-16-11(14)15-12/h3-4,7H,5-6H2,1-2H3,(H2,14,15).
What are the key properties of 4-(3-fluoro-4-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
4-(3-fluoro-4-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 238.33 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 58057553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).