[amino-[(6S)-6-[(4-methoxyphenyl)carbamoyl]-4-oxo-5,6-dihydro-1,3-thiazin-2-yl]methylidene]azanium

C13H15N4O3S+ — CID 2026214

IUPAC[amino-[(6S)-6-[(4-methoxyphenyl)carbamoyl]-4-oxo-5,6-dihydro-1,3-thiazin-2-yl]methylidene]azanium
SMILESCOc1ccc(NC(=O)[C@@H]2CC(=O)N=C(C(N)=[NH2+])S2)cc1
InChIInChI=1S/C13H14N4O3S/c1-20-8-4-2-7(3-5-8)16-12(19)9-6-10(18)17-13(21-9)11(14)15/h2-5,9H,6H2,1H3,(H3,14,15)(H,16,19)/p+1/t9-/m0/s1
InChIKeyOHEBOFRZADEKBQ-VIFPVBQESA-O
MW307.36 g/mol
LogP-0.82
Rot. Bonds4

About [amino-[(6S)-6-[(4-methoxyphenyl)carbamoyl]-4-oxo-5,6-dihydro-1,3-thiazin-2-yl]methylidene]azanium

[amino-[(6S)-6-[(4-methoxyphenyl)carbamoyl]-4-oxo-5,6-dihydro-1,3-thiazin-2-yl]methylidene]azanium (PubChem CID 2026214) has the molecular formula C13H15N4O3S+ and a molecular weight of 307.36 g/mol. Its IUPAC name is [amino-[(6S)-6-[(4-methoxyphenyl)carbamoyl]-4-oxo-5,6-dihydro-1,3-thiazin-2-yl]methylidene]azanium.

Molecular Properties

Compound Name[amino-[(6S)-6-[(4-methoxyphenyl)carbamoyl]-4-oxo-5,6-dihydro-1,3-thiazin-2-yl]methylidene]azanium
PubChem CID2026214
Molecular FormulaC13H15N4O3S+
Molecular Weight307.36 g/mol
Exact Mass307.09
IUPAC Name[amino-[(6S)-6-[(4-methoxyphenyl)carbamoyl]-4-oxo-5,6-dihydro-1,3-thiazin-2-yl]methylidene]azanium
SMILESCOc1ccc(NC(=O)[C@@H]2CC(=O)N=C(C(N)=[NH2+])S2)cc1
InChIInChI=1S/C13H14N4O3S/c1-20-8-4-2-7(3-5-8)16-12(19)9-6-10(18)17-13(21-9)11(14)15/h2-5,9H,6H2,1H3,(H3,14,15)(H,16,19)/p+1/t9-/m0/s1
InChIKeyOHEBOFRZADEKBQ-VIFPVBQESA-O
XLogP-0.82
TPSA119.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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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
(6R)-2-amino-N-(3,4-dimethoxyphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide
CID 744410
N-(4-methoxyphenyl)thiolane-2-carboxamide
CID 110860067
N-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 3523859
N-(4-methoxyphenyl)-3-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
CID 3139917
N-(4-methoxyphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 135441449
(2E,6R)-N-(4-methoxyphenyl)-2-[(Z)-1-(4-methoxyphenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide
CID 136906143
1,3-bis(4-methoxyphenyl)urea
CID 139045428
(6R)-2-amino-N-(1,3-benzodioxol-5-yl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide
CID 943900
4-amino-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 54928395
(6S)-N-(4-ethoxyphenyl)-2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 1114374
N-(4-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 816577

Frequently Asked Questions

What is the IUPAC name of [amino-[(6S)-6-[(4-methoxyphenyl)carbamoyl]-4-oxo-5,6-dihydro-1,3-thiazin-2-yl]methylidene]azanium?
The IUPAC name of [amino-[(6S)-6-[(4-methoxyphenyl)carbamoyl]-4-oxo-5,6-dihydro-1,3-thiazin-2-yl]methylidene]azanium (CID 2026214) is [amino-[(6S)-6-[(4-methoxyphenyl)carbamoyl]-4-oxo-5,6-dihydro-1,3-thiazin-2-yl]methylidene]azanium.
What is the SMILES notation for [amino-[(6S)-6-[(4-methoxyphenyl)carbamoyl]-4-oxo-5,6-dihydro-1,3-thiazin-2-yl]methylidene]azanium?
The canonical SMILES for [amino-[(6S)-6-[(4-methoxyphenyl)carbamoyl]-4-oxo-5,6-dihydro-1,3-thiazin-2-yl]methylidene]azanium is COc1ccc(NC(=O)[C@@H]2CC(=O)N=C(C(N)=[NH2+])S2)cc1.
What is the InChIKey of [amino-[(6S)-6-[(4-methoxyphenyl)carbamoyl]-4-oxo-5,6-dihydro-1,3-thiazin-2-yl]methylidene]azanium?
The InChIKey is OHEBOFRZADEKBQ-VIFPVBQESA-O. The full InChI is InChI=1S/C13H14N4O3S/c1-20-8-4-2-7(3-5-8)16-12(19)9-6-10(18)17-13(21-9)11(14)15/h2-5,9H,6H2,1H3,(H3,14,15)(H,16,19)/p+1/t9-/m0/s1.
What are the key properties of [amino-[(6S)-6-[(4-methoxyphenyl)carbamoyl]-4-oxo-5,6-dihydro-1,3-thiazin-2-yl]methylidene]azanium?
[amino-[(6S)-6-[(4-methoxyphenyl)carbamoyl]-4-oxo-5,6-dihydro-1,3-thiazin-2-yl]methylidene]azanium has a molecular weight of 307.36 g/mol, XLogP of -0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-[(6S)-6-[(4-methoxyphenyl)carbamoyl]-4-oxo-5,6-dihydro-1,3-thiazin-2-yl]methylidene]azanium is sourced from PubChem (CID 2026214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).