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

C18H20N2S — CID 83179347

IUPACN-(2-benzylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CCSC(Nc2ccccc2Cc2ccccc2)=N1
InChIInChI=1S/C18H20N2S/c1-14-11-12-21-18(19-14)20-17-10-6-5-9-16(17)13-15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3,(H,19,20)
InChIKeyIIWPBXKVVLXVPE-UHFFFAOYSA-N
MW296.44 g/mol
LogP4.57
Rot. Bonds3

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

N-(2-benzylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 83179347) has the molecular formula C18H20N2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-(2-benzylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(2-benzylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID83179347
Molecular FormulaC18H20N2S
Molecular Weight296.44 g/mol
Exact Mass296.13
IUPAC NameN-(2-benzylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CCSC(Nc2ccccc2Cc2ccccc2)=N1
InChIInChI=1S/C18H20N2S/c1-14-11-12-21-18(19-14)20-17-10-6-5-9-16(17)13-15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3,(H,19,20)
InChIKeyIIWPBXKVVLXVPE-UHFFFAOYSA-N
XLogP4.57
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(2-benzylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 83179347) is N-(2-benzylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(2-benzylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(2-benzylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is CC1CCSC(Nc2ccccc2Cc2ccccc2)=N1.
What is the InChIKey of N-(2-benzylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is IIWPBXKVVLXVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S/c1-14-11-12-21-18(19-14)20-17-10-6-5-9-16(17)13-15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3,(H,19,20).
What are the key properties of N-(2-benzylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(2-benzylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 296.44 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 83179347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).