N-[[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]methyl]-4-methoxybenzamide;hydrochloride

C20H24ClN3O2S — CID 162337924

IUPACN-[[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]methyl]-4-methoxybenzamide;hydrochloride
SMILESCOc1ccc(C(=O)NCc2cccc(C3(C)CCSC(N)=N3)c2)cc1.Cl
InChIInChI=1S/C20H23N3O2S.ClH/c1-20(10-11-26-19(21)23-20)16-5-3-4-14(12-16)13-22-18(24)15-6-8-17(25-2)9-7-15;/h3-9,12H,10-11,13H2,1-2H3,(H2,21,23)(H,22,24);1H
InChIKeyHVPLGJNDMMAWDT-UHFFFAOYSA-N
MW405.95 g/mol
LogP3.71
Rot. Bonds5

About N-[[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]methyl]-4-methoxybenzamide;hydrochloride

N-[[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]methyl]-4-methoxybenzamide;hydrochloride (PubChem CID 162337924) has the molecular formula C20H24ClN3O2S and a molecular weight of 405.95 g/mol. Its IUPAC name is N-[[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]methyl]-4-methoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-[[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]methyl]-4-methoxybenzamide;hydrochloride
PubChem CID162337924
Molecular FormulaC20H24ClN3O2S
Molecular Weight405.95 g/mol
Exact Mass405.13
IUPAC NameN-[[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]methyl]-4-methoxybenzamide;hydrochloride
SMILESCOc1ccc(C(=O)NCc2cccc(C3(C)CCSC(N)=N3)c2)cc1.Cl
InChIInChI=1S/C20H23N3O2S.ClH/c1-20(10-11-26-19(21)23-20)16-5-3-4-14(12-16)13-22-18(24)15-6-8-17(25-2)9-7-15;/h3-9,12H,10-11,13H2,1-2H3,(H2,21,23)(H,22,24);1H
InChIKeyHVPLGJNDMMAWDT-UHFFFAOYSA-N
XLogP3.71
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.95
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]methyl]-4-methoxybenzamide;hydrochloride with MolForge

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Related Compounds

N-[[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]methyl]-4-methylbenzamide;hydrochloride
CID 162310803
4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
4-[3-(benzylamino)phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine;dihydrochloride
CID 169423891
4-methoxy-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]benzamide
CID 23988040
2-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-1-[5-[(E)-but-2-enoxy]-2-pyridinyl]ethanone
CID 160511848
N-[(4-methoxyphenyl)methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide
CID 170951274
N-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-4-methoxybenzamide
CID 91498180
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664
N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-4-methoxybenzamide
CID 134369561
4-amino-3-N-[(3-methoxyphenyl)methyl]-5-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 46395404
2-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone
CID 161160531
3,5-diamino-N-[(3-methoxyphenyl)methyl]benzamide
CID 61102924

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]methyl]-4-methoxybenzamide;hydrochloride?
The IUPAC name of N-[[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]methyl]-4-methoxybenzamide;hydrochloride (CID 162337924) is N-[[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]methyl]-4-methoxybenzamide;hydrochloride.
What is the SMILES notation for N-[[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]methyl]-4-methoxybenzamide;hydrochloride?
The canonical SMILES for N-[[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]methyl]-4-methoxybenzamide;hydrochloride is COc1ccc(C(=O)NCc2cccc(C3(C)CCSC(N)=N3)c2)cc1.Cl.
What is the InChIKey of N-[[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]methyl]-4-methoxybenzamide;hydrochloride?
The InChIKey is HVPLGJNDMMAWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S.ClH/c1-20(10-11-26-19(21)23-20)16-5-3-4-14(12-16)13-22-18(24)15-6-8-17(25-2)9-7-15;/h3-9,12H,10-11,13H2,1-2H3,(H2,21,23)(H,22,24);1H.
What are the key properties of N-[[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]methyl]-4-methoxybenzamide;hydrochloride?
N-[[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]methyl]-4-methoxybenzamide;hydrochloride has a molecular weight of 405.95 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]methyl]-4-methoxybenzamide;hydrochloride is sourced from PubChem (CID 162337924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).