2-(3-chlorophenyl)imino-N-(4-iodophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide

C18H15ClIN3O2S — CID 4625413

IUPAC2-(3-chlorophenyl)imino-N-(4-iodophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCN1C(=O)CC(C(=O)Nc2ccc(I)cc2)S/C1=N\c1cccc(Cl)c1
InChIInChI=1S/C18H15ClIN3O2S/c1-23-16(24)10-15(17(25)21-13-7-5-12(20)6-8-13)26-18(23)22-14-4-2-3-11(19)9-14/h2-9,15H,10H2,1H3,(H,21,25)/b22-18-
InChIKeyBZYVBMPOJMJAFP-PYCFMQQDSA-N
MW499.76 g/mol
LogP4.53
Rot. Bonds3

About 2-(3-chlorophenyl)imino-N-(4-iodophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide

2-(3-chlorophenyl)imino-N-(4-iodophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide (PubChem CID 4625413) has the molecular formula C18H15ClIN3O2S and a molecular weight of 499.76 g/mol. Its IUPAC name is 2-(3-chlorophenyl)imino-N-(4-iodophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)imino-N-(4-iodophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
PubChem CID4625413
Molecular FormulaC18H15ClIN3O2S
Molecular Weight499.76 g/mol
Exact Mass498.96
IUPAC Name2-(3-chlorophenyl)imino-N-(4-iodophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCN1C(=O)CC(C(=O)Nc2ccc(I)cc2)S/C1=N\c1cccc(Cl)c1
InChIInChI=1S/C18H15ClIN3O2S/c1-23-16(24)10-15(17(25)21-13-7-5-12(20)6-8-13)26-18(23)22-14-4-2-3-11(19)9-14/h2-9,15H,10H2,1H3,(H,21,25)/b22-18-
InChIKeyBZYVBMPOJMJAFP-PYCFMQQDSA-N
XLogP4.53
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.76
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[(6S)-2-(3-chlorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
CID 1114323
N-(4-chlorophenyl)-2-(3,4-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 5006043
2-(3-chlorophenyl)imino-3-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-iodophenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 4046883
(6S)-N-(4-fluorophenyl)-2-(3-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 1114343
4-[[(6R)-2-(3,5-dichlorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
CID 1234737
(6R)-N-(4-chlorophenyl)-2-(3,5-dichloro-4-hydroxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 1039360
(6R)-3-methyl-4-oxo-N-phenyl-2-phenylimino-1,3-thiazinane-6-carboxamide
CID 699214
(6R)-N-(3-chlorophenyl)-2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 1114298
N-(3-chloro-4-methylphenyl)-3-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
CID 4061211
2-(3-chloro-4-methylphenyl)imino-N-(3,4-dichlorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 3352123
2-(1,3-benzodioxol-5-ylimino)-N-(4-chlorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 3139964
4-[[2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
CID 3139939

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)imino-N-(4-iodophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)imino-N-(4-iodophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide (CID 4625413) is 2-(3-chlorophenyl)imino-N-(4-iodophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)imino-N-(4-iodophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)imino-N-(4-iodophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide is CN1C(=O)CC(C(=O)Nc2ccc(I)cc2)S/C1=N\c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)imino-N-(4-iodophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
The InChIKey is BZYVBMPOJMJAFP-PYCFMQQDSA-N. The full InChI is InChI=1S/C18H15ClIN3O2S/c1-23-16(24)10-15(17(25)21-13-7-5-12(20)6-8-13)26-18(23)22-14-4-2-3-11(19)9-14/h2-9,15H,10H2,1H3,(H,21,25)/b22-18-.
What are the key properties of 2-(3-chlorophenyl)imino-N-(4-iodophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
2-(3-chlorophenyl)imino-N-(4-iodophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide has a molecular weight of 499.76 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)imino-N-(4-iodophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 4625413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).