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

C13H18N2S — CID 65035813

IUPAC5-methyl-N-[(4-methylphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCc1ccc(CNC2=NCC(C)CS2)cc1
InChIInChI=1S/C13H18N2S/c1-10-3-5-12(6-4-10)8-15-13-14-7-11(2)9-16-13/h3-6,11H,7-9H2,1-2H3,(H,14,15)
InChIKeyYHHWPVCHZQMBOT-UHFFFAOYSA-N
MW234.37 g/mol
LogP2.82
Rot. Bonds2

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

5-methyl-N-[(4-methylphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 65035813) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is 5-methyl-N-[(4-methylphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name5-methyl-N-[(4-methylphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID65035813
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC Name5-methyl-N-[(4-methylphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCc1ccc(CNC2=NCC(C)CS2)cc1
InChIInChI=1S/C13H18N2S/c1-10-3-5-12(6-4-10)8-15-13-14-7-11(2)9-16-13/h3-6,11H,7-9H2,1-2H3,(H,14,15)
InChIKeyYHHWPVCHZQMBOT-UHFFFAOYSA-N
XLogP2.82
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(4-methylphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of 5-methyl-N-[(4-methylphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 65035813) is 5-methyl-N-[(4-methylphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for 5-methyl-N-[(4-methylphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for 5-methyl-N-[(4-methylphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is Cc1ccc(CNC2=NCC(C)CS2)cc1.
What is the InChIKey of 5-methyl-N-[(4-methylphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is YHHWPVCHZQMBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-10-3-5-12(6-4-10)8-15-13-14-7-11(2)9-16-13/h3-6,11H,7-9H2,1-2H3,(H,14,15).
What are the key properties of 5-methyl-N-[(4-methylphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
5-methyl-N-[(4-methylphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 234.37 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(4-methylphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 65035813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).