4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,2,5]thiadiazolo[3,4-b]pyridin-5-one

C14H13N3O2S — CID 66600181

IUPAC4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,2,5]thiadiazolo[3,4-b]pyridin-5-one
SMILESCCn1c(=O)c(-c2ccccc2C)c(O)c2nsnc21
InChIInChI=1S/C14H13N3O2S/c1-3-17-13-11(15-20-16-13)12(18)10(14(17)19)9-7-5-4-6-8(9)2/h4-7,18H,3H2,1-2H3
InChIKeyUXAYYVCVVQLHKM-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.55
Rot. Bonds2

About 4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,2,5]thiadiazolo[3,4-b]pyridin-5-one

4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,2,5]thiadiazolo[3,4-b]pyridin-5-one (PubChem CID 66600181) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,2,5]thiadiazolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,2,5]thiadiazolo[3,4-b]pyridin-5-one
PubChem CID66600181
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,2,5]thiadiazolo[3,4-b]pyridin-5-one
SMILESCCn1c(=O)c(-c2ccccc2C)c(O)c2nsnc21
InChIInChI=1S/C14H13N3O2S/c1-3-17-13-11(15-20-16-13)12(18)10(14(17)19)9-7-5-4-6-8(9)2/h4-7,18H,3H2,1-2H3
InChIKeyUXAYYVCVVQLHKM-UHFFFAOYSA-N
XLogP2.55
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,2,5]thiadiazolo[3,4-b]pyridin-5-one?
The IUPAC name of 4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,2,5]thiadiazolo[3,4-b]pyridin-5-one (CID 66600181) is 4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,2,5]thiadiazolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,2,5]thiadiazolo[3,4-b]pyridin-5-one?
The canonical SMILES for 4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,2,5]thiadiazolo[3,4-b]pyridin-5-one is CCn1c(=O)c(-c2ccccc2C)c(O)c2nsnc21.
What is the InChIKey of 4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,2,5]thiadiazolo[3,4-b]pyridin-5-one?
The InChIKey is UXAYYVCVVQLHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-3-17-13-11(15-20-16-13)12(18)10(14(17)19)9-7-5-4-6-8(9)2/h4-7,18H,3H2,1-2H3.
What are the key properties of 4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,2,5]thiadiazolo[3,4-b]pyridin-5-one?
4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,2,5]thiadiazolo[3,4-b]pyridin-5-one has a molecular weight of 287.34 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,2,5]thiadiazolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 66600181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).