ethyl 10H-phenothiazine-3-carboxylate

C15H13NO2S — CID 163320845

IUPACethyl 10H-phenothiazine-3-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)Sc1ccccc1N2
InChIInChI=1S/C15H13NO2S/c1-2-18-15(17)10-7-8-12-14(9-10)19-13-6-4-3-5-11(13)16-12/h3-9,16H,2H2,1H3
InChIKeyGSXRVUAAULJIMP-UHFFFAOYSA-N
MW271.34 g/mol
LogP4.07
Rot. Bonds2

About ethyl 10H-phenothiazine-3-carboxylate

ethyl 10H-phenothiazine-3-carboxylate (PubChem CID 163320845) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is ethyl 10H-phenothiazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 10H-phenothiazine-3-carboxylate
PubChem CID163320845
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Nameethyl 10H-phenothiazine-3-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)Sc1ccccc1N2
InChIInChI=1S/C15H13NO2S/c1-2-18-15(17)10-7-8-12-14(9-10)19-13-6-4-3-5-11(13)16-12/h3-9,16H,2H2,1H3
InChIKeyGSXRVUAAULJIMP-UHFFFAOYSA-N
XLogP4.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 10H-phenothiazine-3-carboxylate?
The IUPAC name of ethyl 10H-phenothiazine-3-carboxylate (CID 163320845) is ethyl 10H-phenothiazine-3-carboxylate.
What is the SMILES notation for ethyl 10H-phenothiazine-3-carboxylate?
The canonical SMILES for ethyl 10H-phenothiazine-3-carboxylate is CCOC(=O)c1ccc2c(c1)Sc1ccccc1N2.
What is the InChIKey of ethyl 10H-phenothiazine-3-carboxylate?
The InChIKey is GSXRVUAAULJIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c1-2-18-15(17)10-7-8-12-14(9-10)19-13-6-4-3-5-11(13)16-12/h3-9,16H,2H2,1H3.
What are the key properties of ethyl 10H-phenothiazine-3-carboxylate?
ethyl 10H-phenothiazine-3-carboxylate has a molecular weight of 271.34 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 10H-phenothiazine-3-carboxylate is sourced from PubChem (CID 163320845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).