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

C28H25N3O2S — CID 123282269

IUPAC6-amino-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
SMILESNc1c(Cc2cccc3ccccc23)c(C2CC2)c2n(c1=O)C(C(=O)Nc1ccccc1)CS2
InChIInChI=1S/C28H25N3O2S/c29-25-22(15-19-9-6-8-17-7-4-5-12-21(17)19)24(18-13-14-18)28-31(27(25)33)23(16-34-28)26(32)30-20-10-2-1-3-11-20/h1-12,18,23H,13-16,29H2,(H,30,32)
InChIKeyMCGQUSRJFYNODH-UHFFFAOYSA-N
MW467.59 g/mol
LogP5.34
Rot. Bonds5

About 6-amino-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide

6-amino-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide (PubChem CID 123282269) has the molecular formula C28H25N3O2S and a molecular weight of 467.59 g/mol. Its IUPAC name is 6-amino-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 Name6-amino-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
PubChem CID123282269
Molecular FormulaC28H25N3O2S
Molecular Weight467.59 g/mol
Exact Mass467.17
IUPAC Name6-amino-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
SMILESNc1c(Cc2cccc3ccccc23)c(C2CC2)c2n(c1=O)C(C(=O)Nc1ccccc1)CS2
InChIInChI=1S/C28H25N3O2S/c29-25-22(15-19-9-6-8-17-7-4-5-12-21(17)19)24(18-13-14-18)28-31(27(25)33)23(16-34-28)26(32)30-20-10-2-1-3-11-20/h1-12,18,23H,13-16,29H2,(H,30,32)
InChIKeyMCGQUSRJFYNODH-UHFFFAOYSA-N
XLogP5.34
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.59
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-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 6-amino-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide (CID 123282269) is 6-amino-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 6-amino-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 6-amino-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide is Nc1c(Cc2cccc3ccccc23)c(C2CC2)c2n(c1=O)C(C(=O)Nc1ccccc1)CS2.
What is the InChIKey of 6-amino-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 MCGQUSRJFYNODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O2S/c29-25-22(15-19-9-6-8-17-7-4-5-12-21(17)19)24(18-13-14-18)28-31(27(25)33)23(16-34-28)26(32)30-20-10-2-1-3-11-20/h1-12,18,23H,13-16,29H2,(H,30,32).
What are the key properties of 6-amino-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?
6-amino-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 467.59 g/mol, XLogP of 5.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-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 123282269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).