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

C28H24N2O2S — CID 86344376

IUPAC(3R)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1)[C@@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21
InChIInChI=1S/C28H24N2O2S/c31-25-16-21(15-20-9-6-8-18-7-4-5-12-23(18)20)26(19-13-14-19)28-30(25)24(17-33-28)27(32)29-22-10-2-1-3-11-22/h1-12,16,19,24H,13-15,17H2,(H,29,32)/t24-/m0/s1
InChIKeyIRVYLUZZJVXRBL-DEOSSOPVSA-N
MW452.58 g/mol
LogP5.76
Rot. Bonds5

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

(3R)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide (PubChem CID 86344376) has the molecular formula C28H24N2O2S and a molecular weight of 452.58 g/mol. Its IUPAC name is (3R)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name(3R)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
PubChem CID86344376
Molecular FormulaC28H24N2O2S
Molecular Weight452.58 g/mol
Exact Mass452.16
IUPAC Name(3R)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1)[C@@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21
InChIInChI=1S/C28H24N2O2S/c31-25-16-21(15-20-9-6-8-18-7-4-5-12-23(18)20)26(19-13-14-19)28-30(25)24(17-33-28)27(32)29-22-10-2-1-3-11-22/h1-12,16,19,24H,13-15,17H2,(H,29,32)/t24-/m0/s1
InChIKeyIRVYLUZZJVXRBL-DEOSSOPVSA-N
XLogP5.76
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.58
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?
The IUPAC name of (3R)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide (CID 86344376) is (3R)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide.
What is the SMILES notation for (3R)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?
The canonical SMILES for (3R)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide is O=C(Nc1ccccc1)[C@@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21.
What is the InChIKey of (3R)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?
The InChIKey is IRVYLUZZJVXRBL-DEOSSOPVSA-N. The full InChI is InChI=1S/C28H24N2O2S/c31-25-16-21(15-20-9-6-8-18-7-4-5-12-23(18)20)26(19-13-14-19)28-30(25)24(17-33-28)27(32)29-22-10-2-1-3-11-22/h1-12,16,19,24H,13-15,17H2,(H,29,32)/t24-/m0/s1.
What are the key properties of (3R)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?
(3R)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide has a molecular weight of 452.58 g/mol, XLogP of 5.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 86344376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).