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

C17H18N2OS — CID 83179344

IUPAC4-methyl-N-(4-phenoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CCSC(Nc2ccc(Oc3ccccc3)cc2)=N1
InChIInChI=1S/C17H18N2OS/c1-13-11-12-21-17(18-13)19-14-7-9-16(10-8-14)20-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,18,19)
InChIKeyZINQOEIFNHRAOF-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.77
Rot. Bonds3

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

4-methyl-N-(4-phenoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 83179344) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-methyl-N-(4-phenoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name4-methyl-N-(4-phenoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID83179344
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name4-methyl-N-(4-phenoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CCSC(Nc2ccc(Oc3ccccc3)cc2)=N1
InChIInChI=1S/C17H18N2OS/c1-13-11-12-21-17(18-13)19-14-7-9-16(10-8-14)20-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,18,19)
InChIKeyZINQOEIFNHRAOF-UHFFFAOYSA-N
XLogP4.77
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-phenoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of 4-methyl-N-(4-phenoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 83179344) is 4-methyl-N-(4-phenoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for 4-methyl-N-(4-phenoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for 4-methyl-N-(4-phenoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is CC1CCSC(Nc2ccc(Oc3ccccc3)cc2)=N1.
What is the InChIKey of 4-methyl-N-(4-phenoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is ZINQOEIFNHRAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-13-11-12-21-17(18-13)19-14-7-9-16(10-8-14)20-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,18,19).
What are the key properties of 4-methyl-N-(4-phenoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
4-methyl-N-(4-phenoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 298.41 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-phenoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 83179344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).