(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate

C19H17N3O3S — CID 16570097

IUPAC(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate
SMILESCc1cccn2cc(COC(=O)CC3Sc4ccccc4NC3=O)nc12
InChIInChI=1S/C19H17N3O3S/c1-12-5-4-8-22-10-13(20-18(12)22)11-25-17(23)9-16-19(24)21-14-6-2-3-7-15(14)26-16/h2-8,10,16H,9,11H2,1H3,(H,21,24)
InChIKeyYKDCPOHMRNKRFI-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.19
Rot. Bonds4

About (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate

(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate (PubChem CID 16570097) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate.

Molecular Properties

Compound Name(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate
PubChem CID16570097
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate
SMILESCc1cccn2cc(COC(=O)CC3Sc4ccccc4NC3=O)nc12
InChIInChI=1S/C19H17N3O3S/c1-12-5-4-8-22-10-13(20-18(12)22)11-25-17(23)9-16-19(24)21-14-6-2-3-7-15(14)26-16/h2-8,10,16H,9,11H2,1H3,(H,21,24)
InChIKeyYKDCPOHMRNKRFI-UHFFFAOYSA-N
XLogP3.19
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate with MolForge

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Related Compounds

(3-methylphenyl)methyl 2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 7276927
methyl 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 718690
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 51507395
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 26201665
[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 8841400
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 7607411
[(1R)-1-phenylethyl] 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 7607220
(7,8-dimethyl-2-oxochromen-4-yl)methyl 2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 2478970
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 2621893
[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 7276733
N'-[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]propanehydrazide
CID 770317
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate
CID 23102177

Frequently Asked Questions

What is the IUPAC name of (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate?
The IUPAC name of (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate (CID 16570097) is (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate.
What is the SMILES notation for (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate?
The canonical SMILES for (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate is Cc1cccn2cc(COC(=O)CC3Sc4ccccc4NC3=O)nc12.
What is the InChIKey of (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate?
The InChIKey is YKDCPOHMRNKRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-12-5-4-8-22-10-13(20-18(12)22)11-25-17(23)9-16-19(24)21-14-6-2-3-7-15(14)26-16/h2-8,10,16H,9,11H2,1H3,(H,21,24).
What are the key properties of (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate?
(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate has a molecular weight of 367.43 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate is sourced from PubChem (CID 16570097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).