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

C18H16F2N2O2S — CID 87067874

IUPAC2-cyclopropyl-4-(2,2-difluoroethyl)-7-hydroxy-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESCc1ccccc1-c1c(O)c2sc(C3CC3)nc2n(CC(F)F)c1=O
InChIInChI=1S/C18H16F2N2O2S/c1-9-4-2-3-5-11(9)13-14(23)15-16(21-17(25-15)10-6-7-10)22(18(13)24)8-12(19)20/h2-5,10,12,23H,6-8H2,1H3
InChIKeyBWTZDMWAOBZNKJ-UHFFFAOYSA-N
MW362.40 g/mol
LogP4.28
Rot. Bonds4

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

2-cyclopropyl-4-(2,2-difluoroethyl)-7-hydroxy-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one (PubChem CID 87067874) has the molecular formula C18H16F2N2O2S and a molecular weight of 362.40 g/mol. Its IUPAC name is 2-cyclopropyl-4-(2,2-difluoroethyl)-7-hydroxy-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(2,2-difluoroethyl)-7-hydroxy-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one
PubChem CID87067874
Molecular FormulaC18H16F2N2O2S
Molecular Weight362.40 g/mol
Exact Mass362.09
IUPAC Name2-cyclopropyl-4-(2,2-difluoroethyl)-7-hydroxy-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESCc1ccccc1-c1c(O)c2sc(C3CC3)nc2n(CC(F)F)c1=O
InChIInChI=1S/C18H16F2N2O2S/c1-9-4-2-3-5-11(9)13-14(23)15-16(21-17(25-15)10-6-7-10)22(18(13)24)8-12(19)20/h2-5,10,12,23H,6-8H2,1H3
InChIKeyBWTZDMWAOBZNKJ-UHFFFAOYSA-N
XLogP4.28
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-cyclopropyl-4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 66600132
2-ethyl-7-hydroxy-4-methyl-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 66600378
carbanide;ethane;4-ethyl-7-hydroxy-6-(2-methylphenyl)-2-propyl-[1,3]thiazolo[4,5-b]pyridin-5-one;yttrium
CID 159252129
2-(2,2-difluoroethyl)-5-hydroxy-4-(2-methylphenyl)-6-propan-2-ylpyridazin-3-one
CID 59400696
carbanide;2-(2,2-difluoroethyl)-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium
CID 162070584
6-cyclopropyl-2-(cyclopropylmethyl)-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one
CID 59400761
2-(cyclopropylmethyl)-5-hydroxy-4-(2-methylphenyl)-6-propan-2-ylpyridazin-3-one
CID 59400720
2-(cyclopropylmethyl)-5-hydroxy-6-methyl-4-(2-methylphenyl)pyridazin-3-one
CID 59400784
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;2-(cyclopropylmethyl)-5-hydroxy-6-methyl-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium
CID 160587590
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-(2,2-difluoroethyl)-7-hydroxy-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one?
The IUPAC name of 2-cyclopropyl-4-(2,2-difluoroethyl)-7-hydroxy-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one (CID 87067874) is 2-cyclopropyl-4-(2,2-difluoroethyl)-7-hydroxy-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for 2-cyclopropyl-4-(2,2-difluoroethyl)-7-hydroxy-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one?
The canonical SMILES for 2-cyclopropyl-4-(2,2-difluoroethyl)-7-hydroxy-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one is Cc1ccccc1-c1c(O)c2sc(C3CC3)nc2n(CC(F)F)c1=O.
What is the InChIKey of 2-cyclopropyl-4-(2,2-difluoroethyl)-7-hydroxy-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one?
The InChIKey is BWTZDMWAOBZNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O2S/c1-9-4-2-3-5-11(9)13-14(23)15-16(21-17(25-15)10-6-7-10)22(18(13)24)8-12(19)20/h2-5,10,12,23H,6-8H2,1H3.
What are the key properties of 2-cyclopropyl-4-(2,2-difluoroethyl)-7-hydroxy-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one?
2-cyclopropyl-4-(2,2-difluoroethyl)-7-hydroxy-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one has a molecular weight of 362.40 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(2,2-difluoroethyl)-7-hydroxy-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 87067874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).