methyl 4-hydroxy-7-oxo-3-phenyl-6H-[1,2]thiazolo[5,4-c]pyridine-5-carboxylate

C14H10N2O4S — CID 68629153

IUPACmethyl 4-hydroxy-7-oxo-3-phenyl-6H-[1,2]thiazolo[5,4-c]pyridine-5-carboxylate
SMILESCOC(=O)c1[nH]c(=O)c2snc(-c3ccccc3)c2c1O
InChIInChI=1S/C14H10N2O4S/c1-20-14(19)10-11(17)8-9(7-5-3-2-4-6-7)16-21-12(8)13(18)15-10/h2-6,17H,1H3,(H,15,18)
InChIKeyZSTUVBXNBDFJKU-UHFFFAOYSA-N
MW302.31 g/mol
LogP2.14
Rot. Bonds2

About methyl 4-hydroxy-7-oxo-3-phenyl-6H-[1,2]thiazolo[5,4-c]pyridine-5-carboxylate

methyl 4-hydroxy-7-oxo-3-phenyl-6H-[1,2]thiazolo[5,4-c]pyridine-5-carboxylate (PubChem CID 68629153) has the molecular formula C14H10N2O4S and a molecular weight of 302.31 g/mol. Its IUPAC name is methyl 4-hydroxy-7-oxo-3-phenyl-6H-[1,2]thiazolo[5,4-c]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-7-oxo-3-phenyl-6H-[1,2]thiazolo[5,4-c]pyridine-5-carboxylate
PubChem CID68629153
Molecular FormulaC14H10N2O4S
Molecular Weight302.31 g/mol
Exact Mass302.04
IUPAC Namemethyl 4-hydroxy-7-oxo-3-phenyl-6H-[1,2]thiazolo[5,4-c]pyridine-5-carboxylate
SMILESCOC(=O)c1[nH]c(=O)c2snc(-c3ccccc3)c2c1O
InChIInChI=1S/C14H10N2O4S/c1-20-14(19)10-11(17)8-9(7-5-3-2-4-6-7)16-21-12(8)13(18)15-10/h2-6,17H,1H3,(H,15,18)
InChIKeyZSTUVBXNBDFJKU-UHFFFAOYSA-N
XLogP2.14
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-bromo-3-phenyl-1,2-thiazole-4-carboxylate
CID 121006068
methyl 4-ethyl-3-phenyl-1,2-thiazole-5-carboxylate
CID 123997957
methyl 4-(5-methyl-6-oxo-4-phenyl-1H-pyrimidin-2-yl)benzoate
CID 137316253
methyl 4-(3,4-dimethylphenyl)-2-phenyl-1H-imidazole-5-carboxylate
CID 156703614
methyl 4-(5-methyl-6-oxo-2-phenyl-1H-pyrimidin-4-yl)benzoate
CID 137316255
methyl 4-methyl-1,5-dioxo-2H-2-benzazepine-3-carboxylate
CID 139182447
dimethyl 5-phenyl-1,2-thiazole-3,4-dicarboxylate
CID 14546399
3,5-diphenyl-1,2-thiazol-4-ol
CID 10198936
methyl 4-(4-methoxyphenyl)-1-oxo-2H-isoquinoline-3-carboxylate
CID 134913436
5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxylic acid;methyl 5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxylate
CID 159744997
methyl 4,6-dichloro-3-hydroxy-1H-indole-2-carboxylate
CID 142664172
dimethyl 2-(4-hydroxyphenyl)-5-phenyl-1H-pyrrole-3,4-dicarboxylate
CID 101222068

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-7-oxo-3-phenyl-6H-[1,2]thiazolo[5,4-c]pyridine-5-carboxylate?
The IUPAC name of methyl 4-hydroxy-7-oxo-3-phenyl-6H-[1,2]thiazolo[5,4-c]pyridine-5-carboxylate (CID 68629153) is methyl 4-hydroxy-7-oxo-3-phenyl-6H-[1,2]thiazolo[5,4-c]pyridine-5-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-7-oxo-3-phenyl-6H-[1,2]thiazolo[5,4-c]pyridine-5-carboxylate?
The canonical SMILES for methyl 4-hydroxy-7-oxo-3-phenyl-6H-[1,2]thiazolo[5,4-c]pyridine-5-carboxylate is COC(=O)c1[nH]c(=O)c2snc(-c3ccccc3)c2c1O.
What is the InChIKey of methyl 4-hydroxy-7-oxo-3-phenyl-6H-[1,2]thiazolo[5,4-c]pyridine-5-carboxylate?
The InChIKey is ZSTUVBXNBDFJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4S/c1-20-14(19)10-11(17)8-9(7-5-3-2-4-6-7)16-21-12(8)13(18)15-10/h2-6,17H,1H3,(H,15,18).
What are the key properties of methyl 4-hydroxy-7-oxo-3-phenyl-6H-[1,2]thiazolo[5,4-c]pyridine-5-carboxylate?
methyl 4-hydroxy-7-oxo-3-phenyl-6H-[1,2]thiazolo[5,4-c]pyridine-5-carboxylate has a molecular weight of 302.31 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-7-oxo-3-phenyl-6H-[1,2]thiazolo[5,4-c]pyridine-5-carboxylate is sourced from PubChem (CID 68629153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).