N-(2,6-dimethylphenyl)-4-methyl-2-phenylimino-1,3-thiazinane-3-carboxamide

C20H23N3OS — CID 14709284

IUPACN-(2,6-dimethylphenyl)-4-methyl-2-phenylimino-1,3-thiazinane-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)N1/C(=N/c2ccccc2)SCCC1C
InChIInChI=1S/C20H23N3OS/c1-14-8-7-9-15(2)18(14)22-19(24)23-16(3)12-13-25-20(23)21-17-10-5-4-6-11-17/h4-11,16H,12-13H2,1-3H3,(H,22,24)/b21-20-
InChIKeyLMAPIXYPSHRFIN-MRCUWXFGSA-N
MW353.49 g/mol
LogP5.35
Rot. Bonds2

About N-(2,6-dimethylphenyl)-4-methyl-2-phenylimino-1,3-thiazinane-3-carboxamide

N-(2,6-dimethylphenyl)-4-methyl-2-phenylimino-1,3-thiazinane-3-carboxamide (PubChem CID 14709284) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-methyl-2-phenylimino-1,3-thiazinane-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-methyl-2-phenylimino-1,3-thiazinane-3-carboxamide
PubChem CID14709284
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC NameN-(2,6-dimethylphenyl)-4-methyl-2-phenylimino-1,3-thiazinane-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)N1/C(=N/c2ccccc2)SCCC1C
InChIInChI=1S/C20H23N3OS/c1-14-8-7-9-15(2)18(14)22-19(24)23-16(3)12-13-25-20(23)21-17-10-5-4-6-11-17/h4-11,16H,12-13H2,1-3H3,(H,22,24)/b21-20-
InChIKeyLMAPIXYPSHRFIN-MRCUWXFGSA-N
XLogP5.35
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.49
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2,6-dimethylphenyl)-4-methyl-2-phenylimino-1,3-thiazinane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,6-dimethylphenyl)-3-(3-ethyl-1,3-thiazolidin-2-ylidene)urea
CID 54529047
(2S,4R)-3-[(2,6-dimethylphenyl)carbamoyl]-1,3-thiazolidine-2,4-dicarboxylic acid
CID 7100596
4-methyl-N-phenyl-2-phenylimino-1,3-oxazinane-3-carboxamide
CID 14709279
N-(2,6-dimethylphenyl)-2-[(5S)-4-oxo-2-phenylimino-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 2185030
(3R)-N-(2,6-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111431144
4-benzamido-N-(2,6-dimethylphenyl)piperidine-1-carboxamide
CID 43814093
1-(2,6-dimethylphenyl)-3-(2,6-dimethylpiperidin-1-yl)urea
CID 6623844
2-[3-cyclopropyl-2-(3,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,6-dimethylphenyl)acetamide
CID 3499708
2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid
CID 62331471
4-N-(2,6-dimethylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150290
N-(2,6-dimethylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152337
[(4S)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-phenylmethanone
CID 7915910

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-methyl-2-phenylimino-1,3-thiazinane-3-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-4-methyl-2-phenylimino-1,3-thiazinane-3-carboxamide (CID 14709284) is N-(2,6-dimethylphenyl)-4-methyl-2-phenylimino-1,3-thiazinane-3-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-methyl-2-phenylimino-1,3-thiazinane-3-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-methyl-2-phenylimino-1,3-thiazinane-3-carboxamide is Cc1cccc(C)c1NC(=O)N1/C(=N/c2ccccc2)SCCC1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-methyl-2-phenylimino-1,3-thiazinane-3-carboxamide?
The InChIKey is LMAPIXYPSHRFIN-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-14-8-7-9-15(2)18(14)22-19(24)23-16(3)12-13-25-20(23)21-17-10-5-4-6-11-17/h4-11,16H,12-13H2,1-3H3,(H,22,24)/b21-20-.
What are the key properties of N-(2,6-dimethylphenyl)-4-methyl-2-phenylimino-1,3-thiazinane-3-carboxamide?
N-(2,6-dimethylphenyl)-4-methyl-2-phenylimino-1,3-thiazinane-3-carboxamide has a molecular weight of 353.49 g/mol, XLogP of 5.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-4-methyl-2-phenylimino-1,3-thiazinane-3-carboxamide is sourced from PubChem (CID 14709284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).