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

C13H18N2OS — CID 83187669

IUPACN-(3-ethoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCOc1cccc(NC2=NC(C)CCS2)c1
InChIInChI=1S/C13H18N2OS/c1-3-16-12-6-4-5-11(9-12)15-13-14-10(2)7-8-17-13/h4-6,9-10H,3,7-8H2,1-2H3,(H,14,15)
InChIKeyMSVTZTZMGPIRAS-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.38
Rot. Bonds3

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

N-(3-ethoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 83187669) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is N-(3-ethoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(3-ethoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID83187669
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC NameN-(3-ethoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCOc1cccc(NC2=NC(C)CCS2)c1
InChIInChI=1S/C13H18N2OS/c1-3-16-12-6-4-5-11(9-12)15-13-14-10(2)7-8-17-13/h4-6,9-10H,3,7-8H2,1-2H3,(H,14,15)
InChIKeyMSVTZTZMGPIRAS-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-diethoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83186568
N-(3-ethylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83187098
N-(3-ethoxyphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 107857841
4-methyl-N-(4-phenoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83179344
4-methyl-N-quinolin-3-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83186589
N-(3-ethoxyphenyl)-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 113492430
N-(3-ethoxyphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106250484
4-methyl-N-(4-propylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83188198
4-methyl-N-(2-phenoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83179343
N-(4-chlorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83187370
N-(3-bromo-4-chlorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83188652
N-(4-bromo-3-chlorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 107614120

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(3-ethoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 83187669) is N-(3-ethoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(3-ethoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(3-ethoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is CCOc1cccc(NC2=NC(C)CCS2)c1.
What is the InChIKey of N-(3-ethoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is MSVTZTZMGPIRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-3-16-12-6-4-5-11(9-12)15-13-14-10(2)7-8-17-13/h4-6,9-10H,3,7-8H2,1-2H3,(H,14,15).
What are the key properties of N-(3-ethoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(3-ethoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 250.37 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 83187669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).