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

C13H17ClN2S — CID 113496105

IUPACN-(2-chloro-6-methylphenyl)-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCC1CCSC(Nc2c(C)cccc2Cl)=N1
InChIInChI=1S/C13H17ClN2S/c1-3-10-7-8-17-13(15-10)16-12-9(2)5-4-6-11(12)14/h4-6,10H,3,7-8H2,1-2H3,(H,15,16)
InChIKeyHKJOXSGGGRJAHO-UHFFFAOYSA-N
MW268.81 g/mol
LogP4.33
Rot. Bonds2

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

N-(2-chloro-6-methylphenyl)-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 113496105) has the molecular formula C13H17ClN2S and a molecular weight of 268.81 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID113496105
Molecular FormulaC13H17ClN2S
Molecular Weight268.81 g/mol
Exact Mass268.08
IUPAC NameN-(2-chloro-6-methylphenyl)-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCC1CCSC(Nc2c(C)cccc2Cl)=N1
InChIInChI=1S/C13H17ClN2S/c1-3-10-7-8-17-13(15-10)16-12-9(2)5-4-6-11(12)14/h4-6,10H,3,7-8H2,1-2H3,(H,15,16)
InChIKeyHKJOXSGGGRJAHO-UHFFFAOYSA-N
XLogP4.33
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.81
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(2-chloro-6-methylphenyl)-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 113496105) is N-(2-chloro-6-methylphenyl)-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine is CCC1CCSC(Nc2c(C)cccc2Cl)=N1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is HKJOXSGGGRJAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2S/c1-3-10-7-8-17-13(15-10)16-12-9(2)5-4-6-11(12)14/h4-6,10H,3,7-8H2,1-2H3,(H,15,16).
What are the key properties of N-(2-chloro-6-methylphenyl)-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(2-chloro-6-methylphenyl)-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 268.81 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 113496105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).