3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide

C20H20F2N4O2S — CID 46525604

IUPAC3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
SMILESCCN1CCc2nc(NC(=O)CCc3ncc(-c4c(F)cccc4F)o3)sc2C1
InChIInChI=1S/C20H20F2N4O2S/c1-2-26-9-8-14-16(11-26)29-20(24-14)25-17(27)6-7-18-23-10-15(28-18)19-12(21)4-3-5-13(19)22/h3-5,10H,2,6-9,11H2,1H3,(H,24,25,27)
InChIKeyGUOJIZNPPLTEEA-UHFFFAOYSA-N
MW418.47 g/mol
LogP4.03
Rot. Bonds6

About 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide

3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide (PubChem CID 46525604) has the molecular formula C20H20F2N4O2S and a molecular weight of 418.47 g/mol. Its IUPAC name is 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide.

Molecular Properties

Compound Name3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
PubChem CID46525604
Molecular FormulaC20H20F2N4O2S
Molecular Weight418.47 g/mol
Exact Mass418.13
IUPAC Name3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
SMILESCCN1CCc2nc(NC(=O)CCc3ncc(-c4c(F)cccc4F)o3)sc2C1
InChIInChI=1S/C20H20F2N4O2S/c1-2-26-9-8-14-16(11-26)29-20(24-14)25-17(27)6-7-18-23-10-15(28-18)19-12(21)4-3-5-13(19)22/h3-5,10H,2,6-9,11H2,1H3,(H,24,25,27)
InChIKeyGUOJIZNPPLTEEA-UHFFFAOYSA-N
XLogP4.03
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide with MolForge

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Related Compounds

N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-methylphenyl)propanamide
CID 29413371
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(4-methoxyphenoxy)butanamide
CID 78772933
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 29413491
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 18135040
2-(2,6-dichlorophenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 29412832
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 43068627
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 46688995
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-phenylphenyl)acetamide
CID 29412794
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(dimethylamino)phenyl]propanamide
CID 30875412
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide
CID 51074990
(3S)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-phenylbutanamide
CID 29412489
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-pyridin-4-ylpropanamide
CID 17454266

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide?
The IUPAC name of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide (CID 46525604) is 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide.
What is the SMILES notation for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide?
The canonical SMILES for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide is CCN1CCc2nc(NC(=O)CCc3ncc(-c4c(F)cccc4F)o3)sc2C1.
What is the InChIKey of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide?
The InChIKey is GUOJIZNPPLTEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O2S/c1-2-26-9-8-14-16(11-26)29-20(24-14)25-17(27)6-7-18-23-10-15(28-18)19-12(21)4-3-5-13(19)22/h3-5,10H,2,6-9,11H2,1H3,(H,24,25,27).
What are the key properties of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide?
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide has a molecular weight of 418.47 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide is sourced from PubChem (CID 46525604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).