(6R)-2-amino-N-(3,4-dimethoxyphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide

C13H15N3O4S — CID 744410

IUPAC(6R)-2-amino-N-(3,4-dimethoxyphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2CC(=O)N=C(N)S2)cc1OC
InChIInChI=1S/C13H15N3O4S/c1-19-8-4-3-7(5-9(8)20-2)15-12(18)10-6-11(17)16-13(14)21-10/h3-5,10H,6H2,1-2H3,(H,15,18)(H2,14,16,17)/t10-/m1/s1
InChIKeyQOAFYXKHXARZGZ-SNVBAGLBSA-N
MW309.35 g/mol
LogP0.99
Rot. Bonds4

About (6R)-2-amino-N-(3,4-dimethoxyphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide

(6R)-2-amino-N-(3,4-dimethoxyphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide (PubChem CID 744410) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is (6R)-2-amino-N-(3,4-dimethoxyphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide.

Molecular Properties

Compound Name(6R)-2-amino-N-(3,4-dimethoxyphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide
PubChem CID744410
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name(6R)-2-amino-N-(3,4-dimethoxyphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2CC(=O)N=C(N)S2)cc1OC
InChIInChI=1S/C13H15N3O4S/c1-19-8-4-3-7(5-9(8)20-2)15-12(18)10-6-11(17)16-13(14)21-10/h3-5,10H,6H2,1-2H3,(H,15,18)(H2,14,16,17)/t10-/m1/s1
InChIKeyQOAFYXKHXARZGZ-SNVBAGLBSA-N
XLogP0.99
TPSA103.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (6R)-2-amino-N-(3,4-dimethoxyphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide with MolForge

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Related Compounds

[amino-[(6R)-6-[(4-methoxyphenyl)carbamoyl]-4-oxo-5,6-dihydro-1,3-thiazin-2-yl]methylidene]azanium
CID 2026212
[amino-[(6S)-6-[(4-methoxyphenyl)carbamoyl]-4-oxo-5,6-dihydro-1,3-thiazin-2-yl]methylidene]azanium
CID 2026214
(3,4-dimethoxyphenyl)urea
CID 21197430
2-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60792514
N-(3,4-dimethoxyphenyl)-4-methoxycyclohexane-1-carboxamide
CID 112521544
N-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51159017
2-N-(3-chlorophenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142885
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
methyl 4-[4-[(3,4-dimethoxyphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189485
2-N-(4-acetylphenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143693
5-amino-N-(3,4-dimethoxyphenyl)-2H-triazole-4-carboxamide
CID 110484954
(2S)-N-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 119420078

Frequently Asked Questions

What is the IUPAC name of (6R)-2-amino-N-(3,4-dimethoxyphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide?
The IUPAC name of (6R)-2-amino-N-(3,4-dimethoxyphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide (CID 744410) is (6R)-2-amino-N-(3,4-dimethoxyphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide.
What is the SMILES notation for (6R)-2-amino-N-(3,4-dimethoxyphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide?
The canonical SMILES for (6R)-2-amino-N-(3,4-dimethoxyphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide is COc1ccc(NC(=O)[C@H]2CC(=O)N=C(N)S2)cc1OC.
What is the InChIKey of (6R)-2-amino-N-(3,4-dimethoxyphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide?
The InChIKey is QOAFYXKHXARZGZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-19-8-4-3-7(5-9(8)20-2)15-12(18)10-6-11(17)16-13(14)21-10/h3-5,10H,6H2,1-2H3,(H,15,18)(H2,14,16,17)/t10-/m1/s1.
What are the key properties of (6R)-2-amino-N-(3,4-dimethoxyphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide?
(6R)-2-amino-N-(3,4-dimethoxyphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide has a molecular weight of 309.35 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-amino-N-(3,4-dimethoxyphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide is sourced from PubChem (CID 744410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).