methyl 2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine-7-carboxylate

C9H10N2O2S — CID 91827961

IUPACmethyl 2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine-7-carboxylate
SMILESCOC(=O)c1cnc2c(c1)NCCS2
InChIInChI=1S/C9H10N2O2S/c1-13-9(12)6-4-7-8(11-5-6)14-3-2-10-7/h4-5,10H,2-3H2,1H3
InChIKeyLWJLSYBDZJKYJR-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.39
Rot. Bonds1

About methyl 2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine-7-carboxylate

methyl 2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine-7-carboxylate (PubChem CID 91827961) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is methyl 2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine-7-carboxylate.

Molecular Properties

Compound Namemethyl 2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine-7-carboxylate
PubChem CID91827961
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Namemethyl 2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine-7-carboxylate
SMILESCOC(=O)c1cnc2c(c1)NCCS2
InChIInChI=1S/C9H10N2O2S/c1-13-9(12)6-4-7-8(11-5-6)14-3-2-10-7/h4-5,10H,2-3H2,1H3
InChIKeyLWJLSYBDZJKYJR-UHFFFAOYSA-N
XLogP1.39
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine-7-carboxylate?
The IUPAC name of methyl 2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine-7-carboxylate (CID 91827961) is methyl 2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine-7-carboxylate.
What is the SMILES notation for methyl 2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine-7-carboxylate?
The canonical SMILES for methyl 2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine-7-carboxylate is COC(=O)c1cnc2c(c1)NCCS2.
What is the InChIKey of methyl 2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine-7-carboxylate?
The InChIKey is LWJLSYBDZJKYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-13-9(12)6-4-7-8(11-5-6)14-3-2-10-7/h4-5,10H,2-3H2,1H3.
What are the key properties of methyl 2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine-7-carboxylate?
methyl 2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine-7-carboxylate has a molecular weight of 210.26 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine-7-carboxylate is sourced from PubChem (CID 91827961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).