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

C13H18N2OS — CID 83187948

IUPACN-[3-(methoxymethyl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCOCc1cccc(NC2=NC(C)CCS2)c1
InChIInChI=1S/C13H18N2OS/c1-10-6-7-17-13(14-10)15-12-5-3-4-11(8-12)9-16-2/h3-5,8,10H,6-7,9H2,1-2H3,(H,14,15)
InChIKeyDLUKACLDMCYLFE-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.13
Rot. Bonds3

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

N-[3-(methoxymethyl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 83187948) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is N-[3-(methoxymethyl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-[3-(methoxymethyl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID83187948
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC NameN-[3-(methoxymethyl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCOCc1cccc(NC2=NC(C)CCS2)c1
InChIInChI=1S/C13H18N2OS/c1-10-6-7-17-13(14-10)15-12-5-3-4-11(8-12)9-16-2/h3-5,8,10H,6-7,9H2,1-2H3,(H,14,15)
InChIKeyDLUKACLDMCYLFE-UHFFFAOYSA-N
XLogP3.13
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(methoxymethyl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-[3-(methoxymethyl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 83187948) is N-[3-(methoxymethyl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-[3-(methoxymethyl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-[3-(methoxymethyl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is COCc1cccc(NC2=NC(C)CCS2)c1.
What is the InChIKey of N-[3-(methoxymethyl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is DLUKACLDMCYLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-10-6-7-17-13(14-10)15-12-5-3-4-11(8-12)9-16-2/h3-5,8,10H,6-7,9H2,1-2H3,(H,14,15).
What are the key properties of N-[3-(methoxymethyl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-[3-(methoxymethyl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 250.37 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methoxymethyl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 83187948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).