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

C14H18N2O3S — CID 10494032

IUPACethyl 2-anilino-4-hydroxy-5-methyl-5,6-dihydro-1,3-thiazine-4-carboxylate
SMILESCCOC(=O)C1(O)N=C(Nc2ccccc2)SCC1C
InChIInChI=1S/C14H18N2O3S/c1-3-19-12(17)14(18)10(2)9-20-13(16-14)15-11-7-5-4-6-8-11/h4-8,10,18H,3,9H2,1-2H3,(H,15,16)
InChIKeyGKXNBVDPUZGPFK-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.09
Rot. Bonds3

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

ethyl 2-anilino-4-hydroxy-5-methyl-5,6-dihydro-1,3-thiazine-4-carboxylate (PubChem CID 10494032) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is ethyl 2-anilino-4-hydroxy-5-methyl-5,6-dihydro-1,3-thiazine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-anilino-4-hydroxy-5-methyl-5,6-dihydro-1,3-thiazine-4-carboxylate
PubChem CID10494032
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Nameethyl 2-anilino-4-hydroxy-5-methyl-5,6-dihydro-1,3-thiazine-4-carboxylate
SMILESCCOC(=O)C1(O)N=C(Nc2ccccc2)SCC1C
InChIInChI=1S/C14H18N2O3S/c1-3-19-12(17)14(18)10(2)9-20-13(16-14)15-11-7-5-4-6-8-11/h4-8,10,18H,3,9H2,1-2H3,(H,15,16)
InChIKeyGKXNBVDPUZGPFK-UHFFFAOYSA-N
XLogP2.09
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-anilino-4-hydroxy-5-methyl-5,6-dihydro-1,3-thiazine-4-carboxylate?
The IUPAC name of ethyl 2-anilino-4-hydroxy-5-methyl-5,6-dihydro-1,3-thiazine-4-carboxylate (CID 10494032) is ethyl 2-anilino-4-hydroxy-5-methyl-5,6-dihydro-1,3-thiazine-4-carboxylate.
What is the SMILES notation for ethyl 2-anilino-4-hydroxy-5-methyl-5,6-dihydro-1,3-thiazine-4-carboxylate?
The canonical SMILES for ethyl 2-anilino-4-hydroxy-5-methyl-5,6-dihydro-1,3-thiazine-4-carboxylate is CCOC(=O)C1(O)N=C(Nc2ccccc2)SCC1C.
What is the InChIKey of ethyl 2-anilino-4-hydroxy-5-methyl-5,6-dihydro-1,3-thiazine-4-carboxylate?
The InChIKey is GKXNBVDPUZGPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-3-19-12(17)14(18)10(2)9-20-13(16-14)15-11-7-5-4-6-8-11/h4-8,10,18H,3,9H2,1-2H3,(H,15,16).
What are the key properties of ethyl 2-anilino-4-hydroxy-5-methyl-5,6-dihydro-1,3-thiazine-4-carboxylate?
ethyl 2-anilino-4-hydroxy-5-methyl-5,6-dihydro-1,3-thiazine-4-carboxylate has a molecular weight of 294.38 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-anilino-4-hydroxy-5-methyl-5,6-dihydro-1,3-thiazine-4-carboxylate is sourced from PubChem (CID 10494032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).