methyl 3-(2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carbonylamino)benzoate

C16H15N3O3S — CID 20920703

IUPACmethyl 3-(2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carbonylamino)benzoate
SMILESCOC(=O)c1cccc(NC(=O)N2CCSc3ncccc32)c1
InChIInChI=1S/C16H15N3O3S/c1-22-15(20)11-4-2-5-12(10-11)18-16(21)19-8-9-23-14-13(19)6-3-7-17-14/h2-7,10H,8-9H2,1H3,(H,18,21)
InChIKeyPWRXZVVHMXRHHJ-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.01
Rot. Bonds2

About methyl 3-(2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carbonylamino)benzoate

methyl 3-(2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carbonylamino)benzoate (PubChem CID 20920703) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is methyl 3-(2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 3-(2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carbonylamino)benzoate
PubChem CID20920703
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Namemethyl 3-(2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carbonylamino)benzoate
SMILESCOC(=O)c1cccc(NC(=O)N2CCSc3ncccc32)c1
InChIInChI=1S/C16H15N3O3S/c1-22-15(20)11-4-2-5-12(10-11)18-16(21)19-8-9-23-14-13(19)6-3-7-17-14/h2-7,10H,8-9H2,1H3,(H,18,21)
InChIKeyPWRXZVVHMXRHHJ-UHFFFAOYSA-N
XLogP3.01
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(butan-2-ylcarbamoyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20921133
N-[3-[(2,4-dimethylphenyl)carbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 46279602
ethyl 3-(2,3-dihydro-1,4-benzothiazine-4-carbonylamino)benzoate
CID 20907144
N-(2-ethylphenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20920690
N-[4-(3-ethoxypropylcarbamoyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20921101
methyl 3-(pyrrolidine-1-carbonylamino)benzoate
CID 39732853
N-[4-[2-(2-chloro-4-methylanilino)-2-oxoethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20921260
N-[4-[2-oxo-2-(3-propylsulfanylpropylamino)ethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20921288
N-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20921300
ethyl 3-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate
CID 53071615
N-[3-[(3,5-dimethoxyphenyl)carbamoyl]phenyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 53050060
N-[4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20921295

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carbonylamino)benzoate?
The IUPAC name of methyl 3-(2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carbonylamino)benzoate (CID 20920703) is methyl 3-(2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carbonylamino)benzoate.
What is the SMILES notation for methyl 3-(2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carbonylamino)benzoate?
The canonical SMILES for methyl 3-(2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carbonylamino)benzoate is COC(=O)c1cccc(NC(=O)N2CCSc3ncccc32)c1.
What is the InChIKey of methyl 3-(2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carbonylamino)benzoate?
The InChIKey is PWRXZVVHMXRHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-22-15(20)11-4-2-5-12(10-11)18-16(21)19-8-9-23-14-13(19)6-3-7-17-14/h2-7,10H,8-9H2,1H3,(H,18,21).
What are the key properties of methyl 3-(2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carbonylamino)benzoate?
methyl 3-(2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carbonylamino)benzoate has a molecular weight of 329.38 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carbonylamino)benzoate is sourced from PubChem (CID 20920703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).