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

C12H16N2O2S — CID 2346391

IUPACN-(2,5-dimethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCOc1ccc(OC)c(NC2=NCCCS2)c1
InChIInChI=1S/C12H16N2O2S/c1-15-9-4-5-11(16-2)10(8-9)14-12-13-6-3-7-17-12/h4-5,8H,3,6-7H2,1-2H3,(H,13,14)
InChIKeyXBFUAEQVLUGFLC-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.61
Rot. Bonds3

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

N-(2,5-dimethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 2346391) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID2346391
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC NameN-(2,5-dimethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCOc1ccc(OC)c(NC2=NCCCS2)c1
InChIInChI=1S/C12H16N2O2S/c1-15-9-4-5-11(16-2)10(8-9)14-12-13-6-3-7-17-12/h4-5,8H,3,6-7H2,1-2H3,(H,13,14)
InChIKeyXBFUAEQVLUGFLC-UHFFFAOYSA-N
XLogP2.61
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(2,5-dimethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 2346391) is N-(2,5-dimethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is COc1ccc(OC)c(NC2=NCCCS2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is XBFUAEQVLUGFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-15-9-4-5-11(16-2)10(8-9)14-12-13-6-3-7-17-12/h4-5,8H,3,6-7H2,1-2H3,(H,13,14).
What are the key properties of N-(2,5-dimethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(2,5-dimethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 252.34 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 2346391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).