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

C13H18N2OS — CID 83187934

IUPACN-(2-methoxy-5-methylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCOc1ccc(C)cc1NC1=NC(C)CCS1
InChIInChI=1S/C13H18N2OS/c1-9-4-5-12(16-3)11(8-9)15-13-14-10(2)6-7-17-13/h4-5,8,10H,6-7H2,1-3H3,(H,14,15)
InChIKeyHOOOZZYJAURFMM-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.30
Rot. Bonds2

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

N-(2-methoxy-5-methylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 83187934) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID83187934
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC NameN-(2-methoxy-5-methylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCOc1ccc(C)cc1NC1=NC(C)CCS1
InChIInChI=1S/C13H18N2OS/c1-9-4-5-12(16-3)11(8-9)15-13-14-10(2)6-7-17-13/h4-5,8,10H,6-7H2,1-3H3,(H,14,15)
InChIKeyHOOOZZYJAURFMM-UHFFFAOYSA-N
XLogP3.30
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-4-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzonitrile
CID 104849659
N-(5-chloro-2-methoxyphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43439866
4-tert-butyl-N-(2,5-dimethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351205
N-(2-methoxy-5-methylphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
CID 62524507
N-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351151
4-methyl-N-[2-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83187369
N-(3,4-diethoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83186568
N-(cyclopentylmethyl)-2-methoxy-5-methylaniline
CID 61344463
4-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83188186
4-methyl-N-(4-phenoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83179344
4-methyl-N-(4-propan-2-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83186701
N-(2-methoxy-5-methylphenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112869263

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 83187934) is N-(2-methoxy-5-methylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is COc1ccc(C)cc1NC1=NC(C)CCS1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is HOOOZZYJAURFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-9-4-5-12(16-3)11(8-9)15-13-14-10(2)6-7-17-13/h4-5,8,10H,6-7H2,1-3H3,(H,14,15).
What are the key properties of N-(2-methoxy-5-methylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(2-methoxy-5-methylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 250.37 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 83187934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).