ethyl 2-anilino-5-methyl-6H-1,3-thiazine-4-carboxylate

C14H16N2O2S — CID 10754942

IUPACethyl 2-anilino-5-methyl-6H-1,3-thiazine-4-carboxylate
SMILESCCOC(=O)C1=C(C)CSC(Nc2ccccc2)=N1
InChIInChI=1S/C14H16N2O2S/c1-3-18-13(17)12-10(2)9-19-14(16-12)15-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,15,16)
InChIKeyVLSSPTMCIJNCTP-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.04
Rot. Bonds3

About ethyl 2-anilino-5-methyl-6H-1,3-thiazine-4-carboxylate

ethyl 2-anilino-5-methyl-6H-1,3-thiazine-4-carboxylate (PubChem CID 10754942) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is ethyl 2-anilino-5-methyl-6H-1,3-thiazine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-anilino-5-methyl-6H-1,3-thiazine-4-carboxylate
PubChem CID10754942
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Nameethyl 2-anilino-5-methyl-6H-1,3-thiazine-4-carboxylate
SMILESCCOC(=O)C1=C(C)CSC(Nc2ccccc2)=N1
InChIInChI=1S/C14H16N2O2S/c1-3-18-13(17)12-10(2)9-19-14(16-12)15-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,15,16)
InChIKeyVLSSPTMCIJNCTP-UHFFFAOYSA-N
XLogP3.04
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 15053537
diethyl oxalate;N-phenylaniline
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ethane;ethyl 2-amino-4-anilino-6-methylpyrimidine-5-carboxylate
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ethyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate
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ethyl 2-anilino-4-hydroxy-5-methyl-5,6-dihydro-1,3-thiazine-4-carboxylate
CID 10494032
ethyl 4-anilino-2-chloro-6-methylpyrimidine-5-carboxylate
CID 89416676
ethyl (E)-3-(2-anilino-1,3-thiazol-4-yl)prop-2-enoate
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ethyl 1-anilinoisoquinoline-4-carboxylate
CID 46358338
ethyl 6-thiabicyclo[3.2.1]octa-1(8),2,4-triene-8-carboxylate
CID 142647601
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CID 170892715

Frequently Asked Questions

What is the IUPAC name of ethyl 2-anilino-5-methyl-6H-1,3-thiazine-4-carboxylate?
The IUPAC name of ethyl 2-anilino-5-methyl-6H-1,3-thiazine-4-carboxylate (CID 10754942) is ethyl 2-anilino-5-methyl-6H-1,3-thiazine-4-carboxylate.
What is the SMILES notation for ethyl 2-anilino-5-methyl-6H-1,3-thiazine-4-carboxylate?
The canonical SMILES for ethyl 2-anilino-5-methyl-6H-1,3-thiazine-4-carboxylate is CCOC(=O)C1=C(C)CSC(Nc2ccccc2)=N1.
What is the InChIKey of ethyl 2-anilino-5-methyl-6H-1,3-thiazine-4-carboxylate?
The InChIKey is VLSSPTMCIJNCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-3-18-13(17)12-10(2)9-19-14(16-12)15-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,15,16).
What are the key properties of ethyl 2-anilino-5-methyl-6H-1,3-thiazine-4-carboxylate?
ethyl 2-anilino-5-methyl-6H-1,3-thiazine-4-carboxylate has a molecular weight of 276.36 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-anilino-5-methyl-6H-1,3-thiazine-4-carboxylate is sourced from PubChem (CID 10754942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).