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

C12H15BrN2OS — CID 65036614

IUPACN-(5-bromo-2-methoxyphenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCOc1ccc(Br)cc1NC1=NCC(C)CS1
InChIInChI=1S/C12H15BrN2OS/c1-8-6-14-12(17-7-8)15-10-5-9(13)3-4-11(10)16-2/h3-5,8H,6-7H2,1-2H3,(H,14,15)
InChIKeyOQTUEVKFDUVXJX-UHFFFAOYSA-N
MW315.24 g/mol
LogP3.61
Rot. Bonds2

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

N-(5-bromo-2-methoxyphenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 65036614) has the molecular formula C12H15BrN2OS and a molecular weight of 315.24 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID65036614
Molecular FormulaC12H15BrN2OS
Molecular Weight315.24 g/mol
Exact Mass314.01
IUPAC NameN-(5-bromo-2-methoxyphenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCOc1ccc(Br)cc1NC1=NCC(C)CS1
InChIInChI=1S/C12H15BrN2OS/c1-8-6-14-12(17-7-8)15-10-5-9(13)3-4-11(10)16-2/h3-5,8H,6-7H2,1-2H3,(H,14,15)
InChIKeyOQTUEVKFDUVXJX-UHFFFAOYSA-N
XLogP3.61
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-bromo-2-methoxyphenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-bromo-2-(trifluoromethyl)phenyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65036060
N-(2-chloro-4-iodophenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 107607269
N-(5-chloro-2-methoxyphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43439866
N-(5-bromo-2-methoxyphenyl)-5-methylthiolan-3-amine
CID 79949843
N-(5-chloro-2-methoxyphenyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63296598
5-methyl-N-(5-methyl-3-pyridinyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 107585935
5-methyl-N-(2-methylquinolin-8-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65035653
N-(5-bromo-2-methoxyphenyl)-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80979347
4-N-(5-bromo-2-methoxyphenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80804520
N-(5-bromo-2-methoxyphenyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine
CID 102761817
5-bromo-N-(5-bromo-2-methoxyphenyl)-2-chloropyrimidin-4-amine
CID 79073075
6-N-(5-bromo-2-methoxyphenyl)-2-N-methylpyridine-2,6-diamine
CID 80804696

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 65036614) is N-(5-bromo-2-methoxyphenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is COc1ccc(Br)cc1NC1=NCC(C)CS1.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is OQTUEVKFDUVXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2OS/c1-8-6-14-12(17-7-8)15-10-5-9(13)3-4-11(10)16-2/h3-5,8H,6-7H2,1-2H3,(H,14,15).
What are the key properties of N-(5-bromo-2-methoxyphenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(5-bromo-2-methoxyphenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 315.24 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 65036614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).