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

C18H15FIN3O2S — CID 1114407

IUPAC(6S)-N-(2-fluorophenyl)-2-(4-iodophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCN1C(=O)C[C@@H](C(=O)Nc2ccccc2F)S/C1=N\c1ccc(I)cc1
InChIInChI=1S/C18H15FIN3O2S/c1-23-16(24)10-15(17(25)22-14-5-3-2-4-13(14)19)26-18(23)21-12-8-6-11(20)7-9-12/h2-9,15H,10H2,1H3,(H,22,25)/b21-18-/t15-/m0/s1
InChIKeyHTEFZUWZQVLZNA-BAOKRACBSA-N
MW483.31 g/mol
LogP4.02
Rot. Bonds3

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

(6S)-N-(2-fluorophenyl)-2-(4-iodophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide (PubChem CID 1114407) has the molecular formula C18H15FIN3O2S and a molecular weight of 483.31 g/mol. Its IUPAC name is (6S)-N-(2-fluorophenyl)-2-(4-iodophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound Name(6S)-N-(2-fluorophenyl)-2-(4-iodophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
PubChem CID1114407
Molecular FormulaC18H15FIN3O2S
Molecular Weight483.31 g/mol
Exact Mass482.99
IUPAC Name(6S)-N-(2-fluorophenyl)-2-(4-iodophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCN1C(=O)C[C@@H](C(=O)Nc2ccccc2F)S/C1=N\c1ccc(I)cc1
InChIInChI=1S/C18H15FIN3O2S/c1-23-16(24)10-15(17(25)22-14-5-3-2-4-13(14)19)26-18(23)21-12-8-6-11(20)7-9-12/h2-9,15H,10H2,1H3,(H,22,25)/b21-18-/t15-/m0/s1
InChIKeyHTEFZUWZQVLZNA-BAOKRACBSA-N
XLogP4.02
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.31
LogP ≤ 54.02
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

(6R)-3-methyl-4-oxo-N-phenyl-2-phenylimino-1,3-thiazinane-6-carboxamide
CID 699214
(6S)-2-(4-iodophenyl)imino-3-methyl-4-oxo-N-(2-phenylethyl)-1,3-thiazinane-6-carboxamide
CID 1299584
methyl 4-[[6-[(2-chlorophenyl)carbamoyl]-3-methyl-4-oxo-1,3-thiazinan-2-ylidene]amino]benzoate
CID 3140021
(6S)-2-[4-[chloro(difluoro)methoxy]phenyl]imino-N-(2-chlorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 1043728
2-(3-chlorophenyl)imino-N-(4-iodophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 4625413
3-ethyl-2-(4-iodophenyl)imino-N-(2-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 3260568
(6R)-3-benzyl-N-(2-fluorophenyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 42588424
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
methyl 4-[[6-[(4-fluorophenyl)carbamoyl]-3-methyl-4-oxo-1,3-thiazinan-2-ylidene]amino]benzoate
CID 3139953
methyl 4-[[2-(4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate
CID 4089654
(6R)-2-(4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxylic acid
CID 767713

Frequently Asked Questions

What is the IUPAC name of (6S)-N-(2-fluorophenyl)-2-(4-iodophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
The IUPAC name of (6S)-N-(2-fluorophenyl)-2-(4-iodophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide (CID 1114407) is (6S)-N-(2-fluorophenyl)-2-(4-iodophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for (6S)-N-(2-fluorophenyl)-2-(4-iodophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
The canonical SMILES for (6S)-N-(2-fluorophenyl)-2-(4-iodophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide is CN1C(=O)C[C@@H](C(=O)Nc2ccccc2F)S/C1=N\c1ccc(I)cc1.
What is the InChIKey of (6S)-N-(2-fluorophenyl)-2-(4-iodophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
The InChIKey is HTEFZUWZQVLZNA-BAOKRACBSA-N. The full InChI is InChI=1S/C18H15FIN3O2S/c1-23-16(24)10-15(17(25)22-14-5-3-2-4-13(14)19)26-18(23)21-12-8-6-11(20)7-9-12/h2-9,15H,10H2,1H3,(H,22,25)/b21-18-/t15-/m0/s1.
What are the key properties of (6S)-N-(2-fluorophenyl)-2-(4-iodophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
(6S)-N-(2-fluorophenyl)-2-(4-iodophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide has a molecular weight of 483.31 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(2-fluorophenyl)-2-(4-iodophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 1114407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).