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

C28H23FN2O2S — CID 123794473

IUPAC8-cyclopropyl-N-(2-fluorophenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1F)C1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21
InChIInChI=1S/C28H23FN2O2S/c29-22-10-3-4-11-23(22)30-27(33)24-16-34-28-26(18-12-13-18)20(15-25(32)31(24)28)14-19-8-5-7-17-6-1-2-9-21(17)19/h1-11,15,18,24H,12-14,16H2,(H,30,33)
InChIKeyUPLVYKOGOBWPCX-UHFFFAOYSA-N
MW470.57 g/mol
LogP5.89
Rot. Bonds5

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

8-cyclopropyl-N-(2-fluorophenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide (PubChem CID 123794473) has the molecular formula C28H23FN2O2S and a molecular weight of 470.57 g/mol. Its IUPAC name is 8-cyclopropyl-N-(2-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-(2-fluorophenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
PubChem CID123794473
Molecular FormulaC28H23FN2O2S
Molecular Weight470.57 g/mol
Exact Mass470.15
IUPAC Name8-cyclopropyl-N-(2-fluorophenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1F)C1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21
InChIInChI=1S/C28H23FN2O2S/c29-22-10-3-4-11-23(22)30-27(33)24-16-34-28-26(18-12-13-18)20(15-25(32)31(24)28)14-19-8-5-7-17-6-1-2-9-21(17)19/h1-11,15,18,24H,12-14,16H2,(H,30,33)
InChIKeyUPLVYKOGOBWPCX-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-(2-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-(2-fluorophenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide (CID 123794473) is 8-cyclopropyl-N-(2-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-(2-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-(2-fluorophenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide is O=C(Nc1ccccc1F)C1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21.
What is the InChIKey of 8-cyclopropyl-N-(2-fluorophenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?
The InChIKey is UPLVYKOGOBWPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN2O2S/c29-22-10-3-4-11-23(22)30-27(33)24-16-34-28-26(18-12-13-18)20(15-25(32)31(24)28)14-19-8-5-7-17-6-1-2-9-21(17)19/h1-11,15,18,24H,12-14,16H2,(H,30,33).
What are the key properties of 8-cyclopropyl-N-(2-fluorophenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?
8-cyclopropyl-N-(2-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-(2-fluorophenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 123794473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).