N-[5-ethyl-1-(4-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-ylidene]-4-fluorobenzamide

C22H19F2N3O2S — CID 2361121

IUPACN-[5-ethyl-1-(4-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-ylidene]-4-fluorobenzamide
SMILESCCN1CCc2c(s/c(=N\C(=O)c3ccc(F)cc3)n2C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C22H19F2N3O2S/c1-2-26-12-11-18-19(13-26)30-22(25-20(28)14-3-7-16(23)8-4-14)27(18)21(29)15-5-9-17(24)10-6-15/h3-10H,2,11-13H2,1H3/b25-22-
InChIKeyQBEQDUMBDIHXJT-LVWGJNHUSA-N
MW427.48 g/mol
LogP3.64
Rot. Bonds3

About N-[5-ethyl-1-(4-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-ylidene]-4-fluorobenzamide

N-[5-ethyl-1-(4-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-ylidene]-4-fluorobenzamide (PubChem CID 2361121) has the molecular formula C22H19F2N3O2S and a molecular weight of 427.48 g/mol. Its IUPAC name is N-[5-ethyl-1-(4-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-ylidene]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[5-ethyl-1-(4-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-ylidene]-4-fluorobenzamide
PubChem CID2361121
Molecular FormulaC22H19F2N3O2S
Molecular Weight427.48 g/mol
Exact Mass427.12
IUPAC NameN-[5-ethyl-1-(4-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-ylidene]-4-fluorobenzamide
SMILESCCN1CCc2c(s/c(=N\C(=O)c3ccc(F)cc3)n2C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C22H19F2N3O2S/c1-2-26-12-11-18-19(13-26)30-22(25-20(28)14-3-7-16(23)8-4-14)27(18)21(29)15-5-9-17(24)10-6-15/h3-10H,2,11-13H2,1H3/b25-22-
InChIKeyQBEQDUMBDIHXJT-LVWGJNHUSA-N
XLogP3.64
TPSA54.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-ethyl-1-(4-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-ylidene]-4-fluorobenzamide?
The IUPAC name of N-[5-ethyl-1-(4-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-ylidene]-4-fluorobenzamide (CID 2361121) is N-[5-ethyl-1-(4-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-ylidene]-4-fluorobenzamide.
What is the SMILES notation for N-[5-ethyl-1-(4-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-ylidene]-4-fluorobenzamide?
The canonical SMILES for N-[5-ethyl-1-(4-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-ylidene]-4-fluorobenzamide is CCN1CCc2c(s/c(=N\C(=O)c3ccc(F)cc3)n2C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of N-[5-ethyl-1-(4-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-ylidene]-4-fluorobenzamide?
The InChIKey is QBEQDUMBDIHXJT-LVWGJNHUSA-N. The full InChI is InChI=1S/C22H19F2N3O2S/c1-2-26-12-11-18-19(13-26)30-22(25-20(28)14-3-7-16(23)8-4-14)27(18)21(29)15-5-9-17(24)10-6-15/h3-10H,2,11-13H2,1H3/b25-22-.
What are the key properties of N-[5-ethyl-1-(4-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-ylidene]-4-fluorobenzamide?
N-[5-ethyl-1-(4-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-ylidene]-4-fluorobenzamide has a molecular weight of 427.48 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethyl-1-(4-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-ylidene]-4-fluorobenzamide is sourced from PubChem (CID 2361121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).