8-cyclopropyl-7-(naphthalen-1-ylmethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one

C29H23N3O2S — CID 123551362

IUPAC8-cyclopropyl-7-(naphthalen-1-ylmethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one
SMILESO=c1cc(Cc2cccc3ccccc23)c(C2CC2)c2n1C(c1nnc(-c3ccccc3)o1)CS2
InChIInChI=1S/C29H23N3O2S/c33-25-16-22(15-21-11-6-10-18-7-4-5-12-23(18)21)26(19-13-14-19)29-32(25)24(17-35-29)28-31-30-27(34-28)20-8-2-1-3-9-20/h1-12,16,19,24H,13-15,17H2
InChIKeyLTRPABMUTOFXPH-UHFFFAOYSA-N
MW477.59 g/mol
LogP6.21
Rot. Bonds5

About 8-cyclopropyl-7-(naphthalen-1-ylmethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one

8-cyclopropyl-7-(naphthalen-1-ylmethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one (PubChem CID 123551362) has the molecular formula C29H23N3O2S and a molecular weight of 477.59 g/mol. Its IUPAC name is 8-cyclopropyl-7-(naphthalen-1-ylmethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one.

Molecular Properties

Compound Name8-cyclopropyl-7-(naphthalen-1-ylmethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one
PubChem CID123551362
Molecular FormulaC29H23N3O2S
Molecular Weight477.59 g/mol
Exact Mass477.15
IUPAC Name8-cyclopropyl-7-(naphthalen-1-ylmethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one
SMILESO=c1cc(Cc2cccc3ccccc23)c(C2CC2)c2n1C(c1nnc(-c3ccccc3)o1)CS2
InChIInChI=1S/C29H23N3O2S/c33-25-16-22(15-21-11-6-10-18-7-4-5-12-23(18)21)26(19-13-14-19)29-32(25)24(17-35-29)28-31-30-27(34-28)20-8-2-1-3-9-20/h1-12,16,19,24H,13-15,17H2
InChIKeyLTRPABMUTOFXPH-UHFFFAOYSA-N
XLogP6.21
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.59
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-cyclopropyl-7-(naphthalen-1-ylmethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-7-(naphthalen-1-ylmethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one?
The IUPAC name of 8-cyclopropyl-7-(naphthalen-1-ylmethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one (CID 123551362) is 8-cyclopropyl-7-(naphthalen-1-ylmethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one.
What is the SMILES notation for 8-cyclopropyl-7-(naphthalen-1-ylmethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one?
The canonical SMILES for 8-cyclopropyl-7-(naphthalen-1-ylmethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one is O=c1cc(Cc2cccc3ccccc23)c(C2CC2)c2n1C(c1nnc(-c3ccccc3)o1)CS2.
What is the InChIKey of 8-cyclopropyl-7-(naphthalen-1-ylmethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one?
The InChIKey is LTRPABMUTOFXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3O2S/c33-25-16-22(15-21-11-6-10-18-7-4-5-12-23(18)21)26(19-13-14-19)29-32(25)24(17-35-29)28-31-30-27(34-28)20-8-2-1-3-9-20/h1-12,16,19,24H,13-15,17H2.
What are the key properties of 8-cyclopropyl-7-(naphthalen-1-ylmethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one?
8-cyclopropyl-7-(naphthalen-1-ylmethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one has a molecular weight of 477.59 g/mol, XLogP of 6.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-7-(naphthalen-1-ylmethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one is sourced from PubChem (CID 123551362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).