8-cyclopropyl-N-(3-fluorophenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide

C28H23FN2O2S — CID 123941923

IUPAC8-cyclopropyl-N-(3-fluorophenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21
InChIInChI=1S/C28H23FN2O2S/c29-21-8-4-9-22(15-21)30-27(33)24-16-34-28-26(18-11-12-18)20(14-25(32)31(24)28)13-19-7-3-6-17-5-1-2-10-23(17)19/h1-10,14-15,18,24H,11-13,16H2,(H,30,33)
InChIKeyXRFIYKHMPOBLDT-UHFFFAOYSA-N
MW470.57 g/mol
LogP5.89
Rot. Bonds5

About 8-cyclopropyl-N-(3-fluorophenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide

8-cyclopropyl-N-(3-fluorophenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide (PubChem CID 123941923) has the molecular formula C28H23FN2O2S and a molecular weight of 470.57 g/mol. Its IUPAC name is 8-cyclopropyl-N-(3-fluorophenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name8-cyclopropyl-N-(3-fluorophenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
PubChem CID123941923
Molecular FormulaC28H23FN2O2S
Molecular Weight470.57 g/mol
Exact Mass470.15
IUPAC Name8-cyclopropyl-N-(3-fluorophenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21
InChIInChI=1S/C28H23FN2O2S/c29-21-8-4-9-22(15-21)30-27(33)24-16-34-28-26(18-11-12-18)20(14-25(32)31(24)28)13-19-7-3-6-17-5-1-2-10-23(17)19/h1-10,14-15,18,24H,11-13,16H2,(H,30,33)
InChIKeyXRFIYKHMPOBLDT-UHFFFAOYSA-N
XLogP5.89
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.57
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-N-(3-fluorophenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?
The IUPAC name of 8-cyclopropyl-N-(3-fluorophenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide (CID 123941923) is 8-cyclopropyl-N-(3-fluorophenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 8-cyclopropyl-N-(3-fluorophenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?
The canonical SMILES for 8-cyclopropyl-N-(3-fluorophenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide is O=C(Nc1cccc(F)c1)C1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21.
What is the InChIKey of 8-cyclopropyl-N-(3-fluorophenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?
The InChIKey is XRFIYKHMPOBLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN2O2S/c29-21-8-4-9-22(15-21)30-27(33)24-16-34-28-26(18-11-12-18)20(14-25(32)31(24)28)13-19-7-3-6-17-5-1-2-10-23(17)19/h1-10,14-15,18,24H,11-13,16H2,(H,30,33).
What are the key properties of 8-cyclopropyl-N-(3-fluorophenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?
8-cyclopropyl-N-(3-fluorophenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide has a molecular weight of 470.57 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-N-(3-fluorophenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 123941923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).