N-(2,6-dimethylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]-1,3-thiazinane-4-carboxamide

C24H26N4O3S — CID 58727343

IUPACN-(2,6-dimethylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]-1,3-thiazinane-4-carboxamide
SMILESCc1cccc(C)c1N(CC(=O)Nc1ccc(-c2cocn2)cc1)C(=O)C1CCSCN1
InChIInChI=1S/C24H26N4O3S/c1-16-4-3-5-17(2)23(16)28(24(30)20-10-11-32-15-26-20)12-22(29)27-19-8-6-18(7-9-19)21-13-31-14-25-21/h3-9,13-14,20,26H,10-12,15H2,1-2H3,(H,27,29)
InChIKeyOCEYBZLYSSTLFI-UHFFFAOYSA-N
MW450.56 g/mol
LogP3.98
Rot. Bonds6

About N-(2,6-dimethylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]-1,3-thiazinane-4-carboxamide

N-(2,6-dimethylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]-1,3-thiazinane-4-carboxamide (PubChem CID 58727343) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]-1,3-thiazinane-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]-1,3-thiazinane-4-carboxamide
PubChem CID58727343
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC NameN-(2,6-dimethylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]-1,3-thiazinane-4-carboxamide
SMILESCc1cccc(C)c1N(CC(=O)Nc1ccc(-c2cocn2)cc1)C(=O)C1CCSCN1
InChIInChI=1S/C24H26N4O3S/c1-16-4-3-5-17(2)23(16)28(24(30)20-10-11-32-15-26-20)12-22(29)27-19-8-6-18(7-9-19)21-13-31-14-25-21/h3-9,13-14,20,26H,10-12,15H2,1-2H3,(H,27,29)
InChIKeyOCEYBZLYSSTLFI-UHFFFAOYSA-N
XLogP3.98
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-fluoro-4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]thiane-4-carboxamide
CID 90947373
N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]thiomorpholine-4-carboxamide
CID 58727323
N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]oxane-4-carboxamide
CID 58727334
4-methoxy-N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]cyclohexane-1-carboxamide
CID 58727335
N-(3,5-dimethylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]-1,1-dioxothiane-4-carboxamide
CID 11663016
N-(3,5-dimethylphenyl)-N-[2-[4-(1,2,4-oxadiazol-3-yl)anilino]-2-oxoethyl]thiane-4-carboxamide
CID 146419243
N-[2-[4-(1,2,4-oxadiazol-3-yl)anilino]-2-oxoethyl]-1,1-dioxo-N-(2,4,6-trimethylphenyl)thiane-4-carboxamide
CID 11540540
N-(2-anilino-2-oxoethyl)-N-methyl-1,3-thiazolidine-4-carboxamide
CID 54871505
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119267842
2-(N-acetyl-2,6-dimethylanilino)-N-(4-methoxyphenyl)acetamide
CID 113168753
N-(2-anilino-2-oxoethyl)-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119294184
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(2,3-dimethylphenyl)-1,1-dioxothiane-4-carboxamide;hydrochloride
CID 10325222

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]-1,3-thiazinane-4-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]-1,3-thiazinane-4-carboxamide (CID 58727343) is N-(2,6-dimethylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]-1,3-thiazinane-4-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]-1,3-thiazinane-4-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]-1,3-thiazinane-4-carboxamide is Cc1cccc(C)c1N(CC(=O)Nc1ccc(-c2cocn2)cc1)C(=O)C1CCSCN1.
What is the InChIKey of N-(2,6-dimethylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]-1,3-thiazinane-4-carboxamide?
The InChIKey is OCEYBZLYSSTLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c1-16-4-3-5-17(2)23(16)28(24(30)20-10-11-32-15-26-20)12-22(29)27-19-8-6-18(7-9-19)21-13-31-14-25-21/h3-9,13-14,20,26H,10-12,15H2,1-2H3,(H,27,29).
What are the key properties of N-(2,6-dimethylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]-1,3-thiazinane-4-carboxamide?
N-(2,6-dimethylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]-1,3-thiazinane-4-carboxamide has a molecular weight of 450.56 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]-1,3-thiazinane-4-carboxamide is sourced from PubChem (CID 58727343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).