ethyl 4-methyl-2-methylimino-6-phenyl-3,6-dihydro-1,3-thiazine-5-carboxylate

C15H18N2O2S — CID 135455119

IUPACethyl 4-methyl-2-methylimino-6-phenyl-3,6-dihydro-1,3-thiazine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N/C(=N/C)SC1c1ccccc1
InChIInChI=1S/C15H18N2O2S/c1-4-19-14(18)12-10(2)17-15(16-3)20-13(12)11-8-6-5-7-9-11/h5-9,13H,4H2,1-3H3,(H,16,17)
InChIKeyMHDSNTIFOYTVRI-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.89
Rot. Bonds3

About ethyl 4-methyl-2-methylimino-6-phenyl-3,6-dihydro-1,3-thiazine-5-carboxylate

ethyl 4-methyl-2-methylimino-6-phenyl-3,6-dihydro-1,3-thiazine-5-carboxylate (PubChem CID 135455119) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is ethyl 4-methyl-2-methylimino-6-phenyl-3,6-dihydro-1,3-thiazine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-methylimino-6-phenyl-3,6-dihydro-1,3-thiazine-5-carboxylate
PubChem CID135455119
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Nameethyl 4-methyl-2-methylimino-6-phenyl-3,6-dihydro-1,3-thiazine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N/C(=N/C)SC1c1ccccc1
InChIInChI=1S/C15H18N2O2S/c1-4-19-14(18)12-10(2)17-15(16-3)20-13(12)11-8-6-5-7-9-11/h5-9,13H,4H2,1-3H3,(H,16,17)
InChIKeyMHDSNTIFOYTVRI-UHFFFAOYSA-N
XLogP2.89
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-((5-(Ethoxycarbonyl)-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-yl)thio)acetic acid
CID 657851
6-Methyl-4-methylsulfanyl-9-oxa-15-thia-3,5-diazatricyclo[14.4.0.02,7]icosa-1(20),3,6,16,18-pentaen-8-one
CID 10044215
Ethyl 2-(2-ethoxy-2-oxoethyl)sulfanyl-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylate
CID 5183677
2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]ethyl benzoate
CID 135494071
4-Methyl-2-methylsulfanyl-6-phenyl-1,6-dihydro-pyrimidine-5-carboxylic acid ethyl ester
CID 9549358
Ethyl 4-(4-fluorophenyl)-6-methyl-2-pentylsulfanyl-1,4-dihydropyrimidine-5-carboxylate
CID 25187364
Ethyl 4-(4-fluorophenyl)-6-methyl-2-tetradecylsulfanyl-1,4-dihydropyrimidine-5-carboxylate
CID 44565446
ethyl 2-[(E)-[(dimethylamino)methylidene]amino]-4-methyl-6-phenyl-6H-1,3-thiazine-5-carboxylate
CID 9568013
F0095-1339
CID 353682
ethyl 2-{[(E)-(dimethylamino)methylidene]amino}-4-methyl-6-phenyl-6H-1,3-thiazine-5-carboxylate
CID 2768134
propan-2-yl 2-(diethylamino)-4-methyl-6-[2-(trifluoromethyl)phenyl]-6H-1,3-thiazine-5-carboxylate
CID 4323481
Ethyl 2-((4-hydroxy-5,6,7,8-tetrahydroquinazolin-2-yl)thio)-2-phenylacetate
CID 135505106

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-methylimino-6-phenyl-3,6-dihydro-1,3-thiazine-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-methylimino-6-phenyl-3,6-dihydro-1,3-thiazine-5-carboxylate (CID 135455119) is ethyl 4-methyl-2-methylimino-6-phenyl-3,6-dihydro-1,3-thiazine-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-methylimino-6-phenyl-3,6-dihydro-1,3-thiazine-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-methylimino-6-phenyl-3,6-dihydro-1,3-thiazine-5-carboxylate is CCOC(=O)C1=C(C)N/C(=N/C)SC1c1ccccc1.
What is the InChIKey of ethyl 4-methyl-2-methylimino-6-phenyl-3,6-dihydro-1,3-thiazine-5-carboxylate?
The InChIKey is MHDSNTIFOYTVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-4-19-14(18)12-10(2)17-15(16-3)20-13(12)11-8-6-5-7-9-11/h5-9,13H,4H2,1-3H3,(H,16,17).
What are the key properties of ethyl 4-methyl-2-methylimino-6-phenyl-3,6-dihydro-1,3-thiazine-5-carboxylate?
ethyl 4-methyl-2-methylimino-6-phenyl-3,6-dihydro-1,3-thiazine-5-carboxylate has a molecular weight of 290.39 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-methylimino-6-phenyl-3,6-dihydro-1,3-thiazine-5-carboxylate is sourced from PubChem (CID 135455119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).