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

C12H14Cl2N2S — CID 83186697

IUPACN-(2,6-dichloro-3-methylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCc1ccc(Cl)c(NC2=NC(C)CCS2)c1Cl
InChIInChI=1S/C12H14Cl2N2S/c1-7-3-4-9(13)11(10(7)14)16-12-15-8(2)5-6-17-12/h3-4,8H,5-6H2,1-2H3,(H,15,16)
InChIKeyCMTIOSXTQSCUSX-UHFFFAOYSA-N
MW289.23 g/mol
LogP4.60
Rot. Bonds1

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

N-(2,6-dichloro-3-methylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 83186697) has the molecular formula C12H14Cl2N2S and a molecular weight of 289.23 g/mol. Its IUPAC name is N-(2,6-dichloro-3-methylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(2,6-dichloro-3-methylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID83186697
Molecular FormulaC12H14Cl2N2S
Molecular Weight289.23 g/mol
Exact Mass288.03
IUPAC NameN-(2,6-dichloro-3-methylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCc1ccc(Cl)c(NC2=NC(C)CCS2)c1Cl
InChIInChI=1S/C12H14Cl2N2S/c1-7-3-4-9(13)11(10(7)14)16-12-15-8(2)5-6-17-12/h3-4,8H,5-6H2,1-2H3,(H,15,16)
InChIKeyCMTIOSXTQSCUSX-UHFFFAOYSA-N
XLogP4.60
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.23
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-3-methylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(2,6-dichloro-3-methylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 83186697) is N-(2,6-dichloro-3-methylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(2,6-dichloro-3-methylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(2,6-dichloro-3-methylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is Cc1ccc(Cl)c(NC2=NC(C)CCS2)c1Cl.
What is the InChIKey of N-(2,6-dichloro-3-methylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is CMTIOSXTQSCUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2S/c1-7-3-4-9(13)11(10(7)14)16-12-15-8(2)5-6-17-12/h3-4,8H,5-6H2,1-2H3,(H,15,16).
What are the key properties of N-(2,6-dichloro-3-methylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(2,6-dichloro-3-methylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 289.23 g/mol, XLogP of 4.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-3-methylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 83186697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).