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

C18H18N2O2S — CID 66600132

IUPAC2-cyclopropyl-4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESCCn1c(=O)c(-c2ccccc2C)c(O)c2sc(C3CC3)nc21
InChIInChI=1S/C18H18N2O2S/c1-3-20-16-15(23-17(19-16)11-8-9-11)14(21)13(18(20)22)12-7-5-4-6-10(12)2/h4-7,11,21H,3,8-9H2,1-2H3
InChIKeyLIOXKJSVLVWHOH-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.04
Rot. Bonds3

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

2-cyclopropyl-4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one (PubChem CID 66600132) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-cyclopropyl-4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name2-cyclopropyl-4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one
PubChem CID66600132
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name2-cyclopropyl-4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESCCn1c(=O)c(-c2ccccc2C)c(O)c2sc(C3CC3)nc21
InChIInChI=1S/C18H18N2O2S/c1-3-20-16-15(23-17(19-16)11-8-9-11)14(21)13(18(20)22)12-7-5-4-6-10(12)2/h4-7,11,21H,3,8-9H2,1-2H3
InChIKeyLIOXKJSVLVWHOH-UHFFFAOYSA-N
XLogP4.04
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-4-(2,2-difluoroethyl)-7-hydroxy-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 87067874
carbanide;ethane;4-ethyl-7-hydroxy-6-(2-methylphenyl)-2-propyl-[1,3]thiazolo[4,5-b]pyridin-5-one;yttrium
CID 159252129
2-ethyl-7-hydroxy-4-methyl-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 66600378
4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,3]oxazolo[5,4-b]pyridin-5-one
CID 66600089
6-cyclopropyl-2-(cyclopropylmethyl)-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one
CID 59400761
2-(cyclopropylmethyl)-5-hydroxy-6-methyl-4-(2-methylphenyl)pyridazin-3-one
CID 59400784
carbanide;2-(cyclopropylmethyl)-5-hydroxy-6-methyl-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium
CID 160587590
2-(cyclopropylmethyl)-5-hydroxy-4-(2-methylphenyl)-6-propan-2-ylpyridazin-3-one
CID 59400720
carbanide;2-cyclobutyl-5-hydroxy-4-(2-methylphenyl)-6-propylpyridazin-3-one;ethane;yttrium
CID 160804324
2-cyclobutyl-5-hydroxy-4-(2-methylphenyl)-6-propan-2-ylpyridazin-3-one
CID 59400785
2-(cyclopropylmethyl)-5-hydroxy-4-(2-methylphenyl)-6-(2-methylpropyl)pyridazin-3-one
CID 59400754
carbanide;ethane;7-hydroxy-6-(2-methylphenyl)-4-prop-2-ynylthieno[3,2-b]pyridin-5-one;yttrium
CID 160655599

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one?
The IUPAC name of 2-cyclopropyl-4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one (CID 66600132) is 2-cyclopropyl-4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for 2-cyclopropyl-4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one?
The canonical SMILES for 2-cyclopropyl-4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one is CCn1c(=O)c(-c2ccccc2C)c(O)c2sc(C3CC3)nc21.
What is the InChIKey of 2-cyclopropyl-4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one?
The InChIKey is LIOXKJSVLVWHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-3-20-16-15(23-17(19-16)11-8-9-11)14(21)13(18(20)22)12-7-5-4-6-10(12)2/h4-7,11,21H,3,8-9H2,1-2H3.
What are the key properties of 2-cyclopropyl-4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one?
2-cyclopropyl-4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one has a molecular weight of 326.42 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 66600132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).