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

C16H16N2O2S — CID 66600378

IUPAC2-ethyl-7-hydroxy-4-methyl-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESCCc1nc2c(s1)c(O)c(-c1ccccc1C)c(=O)n2C
InChIInChI=1S/C16H16N2O2S/c1-4-11-17-15-14(21-11)13(19)12(16(20)18(15)3)10-8-6-5-7-9(10)2/h5-8,19H,4H2,1-3H3
InChIKeyBKCJUUKCSCGUDY-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.24
Rot. Bonds2

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

2-ethyl-7-hydroxy-4-methyl-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one (PubChem CID 66600378) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-ethyl-7-hydroxy-4-methyl-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name2-ethyl-7-hydroxy-4-methyl-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one
PubChem CID66600378
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name2-ethyl-7-hydroxy-4-methyl-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESCCc1nc2c(s1)c(O)c(-c1ccccc1C)c(=O)n2C
InChIInChI=1S/C16H16N2O2S/c1-4-11-17-15-14(21-11)13(19)12(16(20)18(15)3)10-8-6-5-7-9(10)2/h5-8,19H,4H2,1-3H3
InChIKeyBKCJUUKCSCGUDY-UHFFFAOYSA-N
XLogP3.24
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

carbanide;ethane;4-ethyl-7-hydroxy-6-(2-methylphenyl)-2-propyl-[1,3]thiazolo[4,5-b]pyridin-5-one;yttrium
CID 159252129
2-cyclopropyl-4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 66600132
4-hydroxy-2,7-dimethyl-5-(2-methylphenyl)pyrazolo[3,4-b]pyridin-6-one
CID 66600147
2-cyclopropyl-4-(2,2-difluoroethyl)-7-hydroxy-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 87067874
carbanide;ethane;6-ethyl-5-hydroxy-4-(2-methylphenyl)-2-propylpyridazin-3-one;yttrium
CID 159059892
carbanide;ethane;6-ethyl-5-hydroxy-2-(2-methoxyethyl)-4-(2-methylphenyl)pyridazin-3-one;yttrium
CID 160942254
carbanide;ethane;7-hydroxy-6-(2-methylphenyl)-4-prop-2-ynylthieno[3,2-b]pyridin-5-one;yttrium
CID 160655599
3-ethyl-4-hydroxy-2-methyl-5-(2-methylphenyl)-7-prop-2-ynylthieno[2,3-b]pyridin-6-one
CID 87068142
carbanide;2-(2,2-difluoroethyl)-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium
CID 162070584
4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,3]oxazolo[5,4-b]pyridin-5-one
CID 66600089
5-hydroxy-4-(2-methylphenyl)-6-(2-methylpropyl)-2-(2-phenylethyl)pyridazin-3-one
CID 59400751
2-(2,2-difluoroethyl)-5-hydroxy-4-(2-methylphenyl)-6-propan-2-ylpyridazin-3-one
CID 59400696

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-hydroxy-4-methyl-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one?
The IUPAC name of 2-ethyl-7-hydroxy-4-methyl-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one (CID 66600378) is 2-ethyl-7-hydroxy-4-methyl-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for 2-ethyl-7-hydroxy-4-methyl-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one?
The canonical SMILES for 2-ethyl-7-hydroxy-4-methyl-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one is CCc1nc2c(s1)c(O)c(-c1ccccc1C)c(=O)n2C.
What is the InChIKey of 2-ethyl-7-hydroxy-4-methyl-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one?
The InChIKey is BKCJUUKCSCGUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-4-11-17-15-14(21-11)13(19)12(16(20)18(15)3)10-8-6-5-7-9(10)2/h5-8,19H,4H2,1-3H3.
What are the key properties of 2-ethyl-7-hydroxy-4-methyl-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one?
2-ethyl-7-hydroxy-4-methyl-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one has a molecular weight of 300.38 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-hydroxy-4-methyl-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 66600378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).