ethyl 4-methyl-6-(methylamino)-2,3-dihydro-1,4-benzothiazine-2-carboxylate

C13H18N2O2S — CID 18740943

IUPACethyl 4-methyl-6-(methylamino)-2,3-dihydro-1,4-benzothiazine-2-carboxylate
SMILESCCOC(=O)C1CN(C)c2cc(NC)ccc2S1
InChIInChI=1S/C13H18N2O2S/c1-4-17-13(16)12-8-15(3)10-7-9(14-2)5-6-11(10)18-12/h5-7,12,14H,4,8H2,1-3H3
InChIKeyRNHFRZSVSOEFDV-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.20
Rot. Bonds3

About ethyl 4-methyl-6-(methylamino)-2,3-dihydro-1,4-benzothiazine-2-carboxylate

ethyl 4-methyl-6-(methylamino)-2,3-dihydro-1,4-benzothiazine-2-carboxylate (PubChem CID 18740943) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is ethyl 4-methyl-6-(methylamino)-2,3-dihydro-1,4-benzothiazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-6-(methylamino)-2,3-dihydro-1,4-benzothiazine-2-carboxylate
PubChem CID18740943
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Nameethyl 4-methyl-6-(methylamino)-2,3-dihydro-1,4-benzothiazine-2-carboxylate
SMILESCCOC(=O)C1CN(C)c2cc(NC)ccc2S1
InChIInChI=1S/C13H18N2O2S/c1-4-17-13(16)12-8-15(3)10-7-9(14-2)5-6-11(10)18-12/h5-7,12,14H,4,8H2,1-3H3
InChIKeyRNHFRZSVSOEFDV-UHFFFAOYSA-N
XLogP2.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-methyl-6-(methylamino)-2,3-dihydro-1,4-benzothiazine-2-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-6-(methylamino)-2,3-dihydro-1,4-benzothiazine-2-carboxylate?
The IUPAC name of ethyl 4-methyl-6-(methylamino)-2,3-dihydro-1,4-benzothiazine-2-carboxylate (CID 18740943) is ethyl 4-methyl-6-(methylamino)-2,3-dihydro-1,4-benzothiazine-2-carboxylate.
What is the SMILES notation for ethyl 4-methyl-6-(methylamino)-2,3-dihydro-1,4-benzothiazine-2-carboxylate?
The canonical SMILES for ethyl 4-methyl-6-(methylamino)-2,3-dihydro-1,4-benzothiazine-2-carboxylate is CCOC(=O)C1CN(C)c2cc(NC)ccc2S1.
What is the InChIKey of ethyl 4-methyl-6-(methylamino)-2,3-dihydro-1,4-benzothiazine-2-carboxylate?
The InChIKey is RNHFRZSVSOEFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-4-17-13(16)12-8-15(3)10-7-9(14-2)5-6-11(10)18-12/h5-7,12,14H,4,8H2,1-3H3.
What are the key properties of ethyl 4-methyl-6-(methylamino)-2,3-dihydro-1,4-benzothiazine-2-carboxylate?
ethyl 4-methyl-6-(methylamino)-2,3-dihydro-1,4-benzothiazine-2-carboxylate has a molecular weight of 266.37 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-6-(methylamino)-2,3-dihydro-1,4-benzothiazine-2-carboxylate is sourced from PubChem (CID 18740943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).