N-(4-acetamidophenyl)-2-imino-4-oxo-1,3-thiazinane-6-carboxamide

C13H14N4O3S — CID 138376695

IUPACN-(4-acetamidophenyl)-2-imino-4-oxo-1,3-thiazinane-6-carboxamide
SMILES[H]/N=C1/NC(=O)CC(C(=O)Nc2ccc(NC(C)=O)cc2)S1
InChIInChI=1S/C13H14N4O3S/c1-7(18)15-8-2-4-9(5-3-8)16-12(20)10-6-11(19)17-13(14)21-10/h2-5,10H,6H2,1H3,(H,15,18)(H,16,20)(H2,14,17,19)
InChIKeyCZPRXHFJLDCLGJ-UHFFFAOYSA-N
MW306.35 g/mol
LogP1.14
Rot. Bonds3

About N-(4-acetamidophenyl)-2-imino-4-oxo-1,3-thiazinane-6-carboxamide

N-(4-acetamidophenyl)-2-imino-4-oxo-1,3-thiazinane-6-carboxamide (PubChem CID 138376695) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-imino-4-oxo-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-imino-4-oxo-1,3-thiazinane-6-carboxamide
PubChem CID138376695
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC NameN-(4-acetamidophenyl)-2-imino-4-oxo-1,3-thiazinane-6-carboxamide
SMILES[H]/N=C1/NC(=O)CC(C(=O)Nc2ccc(NC(C)=O)cc2)S1
InChIInChI=1S/C13H14N4O3S/c1-7(18)15-8-2-4-9(5-3-8)16-12(20)10-6-11(19)17-13(14)21-10/h2-5,10H,6H2,1H3,(H,15,18)(H,16,20)(H2,14,17,19)
InChIKeyCZPRXHFJLDCLGJ-UHFFFAOYSA-N
XLogP1.14
TPSA111.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 51.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-imino-N-(4-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 138376669
N-(4-chloro-2,5-dimethoxyphenyl)-2-imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 138376703
(6R)-N-(4-methylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 135735713
N-(4-chlorophenyl)-2-[1-(4-chlorophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide
CID 135441837
N-(4-acetamidophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51309078
(2E)-2-[(E)-1-(5-bromothiophen-2-yl)ethylidenehydrazinylidene]-N-(4-fluorophenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 135648383
(2E,6R)-N-(4-methoxyphenyl)-2-[(Z)-1-(4-methoxyphenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide
CID 136906143
4-[[(2Z,6S)-2-[(Z)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
CID 136915474
(2E)-N-(4-chlorophenyl)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide;hydrochloride
CID 163326335
acetic acid;N-(4-fluorophenyl)-2-[(E)-1-(4-hydroxyphenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide
CID 137226816
N-(4-bromophenyl)-2-[(E)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide
CID 137221017
4-[[(2E)-4-oxo-2-(1-thiophen-2-ylethylidenehydrazinylidene)-1,3-thiazinane-6-carbonyl]amino]benzoic acid
CID 135601081

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-imino-4-oxo-1,3-thiazinane-6-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-2-imino-4-oxo-1,3-thiazinane-6-carboxamide (CID 138376695) is N-(4-acetamidophenyl)-2-imino-4-oxo-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-imino-4-oxo-1,3-thiazinane-6-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-imino-4-oxo-1,3-thiazinane-6-carboxamide is [H]/N=C1/NC(=O)CC(C(=O)Nc2ccc(NC(C)=O)cc2)S1.
What is the InChIKey of N-(4-acetamidophenyl)-2-imino-4-oxo-1,3-thiazinane-6-carboxamide?
The InChIKey is CZPRXHFJLDCLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c1-7(18)15-8-2-4-9(5-3-8)16-12(20)10-6-11(19)17-13(14)21-10/h2-5,10H,6H2,1H3,(H,15,18)(H,16,20)(H2,14,17,19).
What are the key properties of N-(4-acetamidophenyl)-2-imino-4-oxo-1,3-thiazinane-6-carboxamide?
N-(4-acetamidophenyl)-2-imino-4-oxo-1,3-thiazinane-6-carboxamide has a molecular weight of 306.35 g/mol, XLogP of 1.14, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-imino-4-oxo-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 138376695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).